Index of /kaggle/competitions/champs-scalar-coupling/code/


../
abazdyrev__nn-w-o-skew/                            05-Oct-2026 16:25       -
abhishek__competition-metric/                      05-Oct-2026 16:25       -
adrianoavelar__bond-calculaltion-lb-0-82/          05-Oct-2026 16:25       -
adrianoavelar__bond-calculation-lb-0-82/           05-Oct-2026 16:25       -
adrianoavelar__eachtype/                           05-Oct-2026 16:25       -
adrianoavelar__gridsearch-for-eachtype-lb-1-0/     05-Oct-2026 16:25       -
adrianoavelar__molecule-pred-feature-eng-lb-0-685/ 05-Oct-2026 16:25       -
aekoch95__bonds-from-structure-data/               05-Oct-2026 16:25       -
aerdem4__lightweight-version-of-2-65-custom-nn/    05-Oct-2026 16:25       -
akashdhorajiya__predicting-molecular-properties..> 05-Oct-2026 16:25       -
akashdhorajiya__predicting-molecular-properties..> 05-Oct-2026 16:25       -
aleksandrrevenko__10k-symmetry/                    05-Oct-2026 16:25       -
alekseynp__answering-my-eda-questions/             05-Oct-2026 16:25       -
alexandraalxva__kernel62a334d02a/                  05-Oct-2026 16:25       -
allunia__molecules-eda/                            05-Oct-2026 16:25       -
amitkumarjaiswal__rdkit-chainer/                   05-Oct-2026 16:25       -
anermakov__rfs-with-distance-features-only-lb-1-57 05-Oct-2026 16:25       -
aqsa2777__getting-started/                         05-Oct-2026 16:25       -
archaizzard__simple-basics-of-nmr/                 05-Oct-2026 16:25       -
artgor__brute-force-feature-engineering/           05-Oct-2026 16:25       -
artgor__molecular-properties-eda-and-models/       05-Oct-2026 16:25       -
artgor__using-meta-features-to-improve-model/      05-Oct-2026 16:25       -
artgor__validation-feature-selection-interpreta..> 05-Oct-2026 16:25       -
asauve__comparison-of-acsf-built-charges-with-o..> 05-Oct-2026 16:25       -
asauve__dataset-with-number-of-bonds-between-atoms 05-Oct-2026 16:25       -
asauve__leaderbord-scores-and-models/              05-Oct-2026 16:25       -
asauve__training-set-molecule-visualization/       05-Oct-2026 16:25       -
asauve__v7-estimation-of-mulliken-charges-with-..> 05-Oct-2026 16:25       -
avivlevi815__eda-without-the-additional-data/      05-Oct-2026 16:25       -
azminetoushikwasi__regression-eda-stacking-ense..> 05-Oct-2026 16:25       -
bashir4909__intro-eda-part1-types/                 05-Oct-2026 16:25       -
basu369victor__a-deep-dive-into-atoms-and-molec..> 05-Oct-2026 16:25       -
basu369victor__lets-try-out-regression-with-dee..> 05-Oct-2026 16:25       -
bejeweled__1jhc-t-sne-visualization/               05-Oct-2026 16:25       -
bhavesh09__simple-submission/                      05-Oct-2026 16:25       -
bigironsphere__molecular-geometry-feature-engin..> 05-Oct-2026 16:25       -
borisdee__how-to-easy-visualization-of-molecules/  05-Oct-2026 16:25       -
borisdee__predicting-mulliken-charges-with-acsf..> 05-Oct-2026 16:25       -
brandenkmurray__coulomb-interaction-parallelized/  05-Oct-2026 16:25       -
buchan__a-neural-network-approach/                 05-Oct-2026 16:25       -
captainkore__predicting-molecular-properties-th..> 05-Oct-2026 16:25       -
carpediemamigo__mulliken-ktensor-xgboost-predic..> 05-Oct-2026 16:25       -
carpediemamigo__xgb-skopt-fs-tuning-training-pe..> 05-Oct-2026 16:25       -
cdeotte__molecule-animations/                      05-Oct-2026 16:25       -
cedben__squid/                                     05-Oct-2026 16:25       -
cerlymarco__feature-engineering-with-mol2vec/      05-Oct-2026 16:25       -
chechir__champs-ensemble/                          05-Oct-2026 16:25       -
chechir__molecular-eda-3d-plots/                   05-Oct-2026 16:25       -
chechir__nncont-seed-26/                           05-Oct-2026 16:25       -
choihao__data-of-distance-qm9-giba/                05-Oct-2026 16:25       -
choihao__distance-qm9-giba/                        05-Oct-2026 16:25       -
choihao__model-stacking/                           05-Oct-2026 16:25       -
chrisevans__kagglekc-sample-submission/            05-Oct-2026 16:25       -
chrisslz__makegraphinput/                          05-Oct-2026 16:25       -
chrisslz__search-for-spurious-information-in-at..> 05-Oct-2026 16:25       -
clelong95__predicting-molecular-properties-rand..> 05-Oct-2026 16:25       -
code1110__additional-data-as-a-single-file/        05-Oct-2026 16:25       -
code1110__eda-for-additional-data-are-they-useful/ 05-Oct-2026 16:25       -
conway__data-exploration-and-feature-engineering/  05-Oct-2026 16:25       -
corochann__eda-and-graph-nn-baseline-modeling/     05-Oct-2026 16:25       -
corochann__visualize-molecules-with-rdkit/         05-Oct-2026 16:25       -
cpmpml__even-faster-distance-computation/          05-Oct-2026 16:25       -
cpmpml__ultra-fast-distance-matrix-computation/    05-Oct-2026 16:25       -
criskiev__distance-is-all-you-need-lb-1-481/       05-Oct-2026 16:25       -
cttsai__champs-lgbm-agg-starter/                   05-Oct-2026 16:25       -
cttsai__champs-lgbm-starter/                       05-Oct-2026 16:25       -
cyberia__eda-set-theory-contingency-tables/        05-Oct-2026 16:25       -
daijin12__coulomb-interaction-high-perf-no-loop..> 05-Oct-2026 16:25       -
dalwindr__movielens-recommendation-engine-dalwi..> 05-Oct-2026 16:25       -
danielchemie__convert-structures-to-more-useful..> 05-Oct-2026 16:25       -
danielchemie__convert-structures-useful-format/    05-Oct-2026 16:25       -
danmusetoiu__staking-and-stealing-like-a-molecule/ 05-Oct-2026 16:25       -
danofer__atomic-distances-with-h2o-automl/         05-Oct-2026 16:25       -
danofer__bonds-from-structure-data/                05-Oct-2026 16:25       -
danofer__fastai-tabular-starter-fork/              05-Oct-2026 16:25       -
danofer__fork-estimation-of-charges-with-openbabel 05-Oct-2026 16:25       -
danofer__molecular-properties-starter-v2/          05-Oct-2026 16:25       -
danofer__molecular-starter/                        05-Oct-2026 16:25       -
darkrai007__kernel68f2cb76f6/                      05-Oct-2026 16:25       -
dhananjay3__eda-all-you-need-to-know/              05-Oct-2026 16:25       -
dspider__dataexplor/                               05-Oct-2026 16:25       -
edeanf__190621-predmolprop-exploration/            05-Oct-2026 16:25       -
edeanf__predmolprop-featureengineering-finaltrain/ 05-Oct-2026 16:25       -
edeanf__predmolprop-featureengineering-slow/       05-Oct-2026 16:25       -
edeanf__predmolprop-modeling-dnn-keras-gpu/        05-Oct-2026 16:25       -
edeanf__predmolprop-modeling-xgboost/              05-Oct-2026 16:25       -
educatedguessing__diy-atom-centered-symmetry-fu..> 05-Oct-2026 16:25       -
enrique1500__easy-potential-energy-prediction/     05-Oct-2026 16:25       -
enrique1500__predict-mulliken-charges-with-catb..> 05-Oct-2026 16:25       -
ersawant__kernel6d9dc44b13/                        05-Oct-2026 16:25       -
everyitfrombit__auto-champs-featuretools-borutapy/ 05-Oct-2026 16:25       -
fabiendaniel__3jhn-model-1-fold0-mse/              05-Oct-2026 16:25       -
fabiendaniel__cnn-on-1jhn-2d-images/               05-Oct-2026 16:25       -
fabiendaniel__creating-bond-centered-2d-images/    05-Oct-2026 16:25       -
felipemello__features-for-top-5-lb-with-nn-or-lgb/ 05-Oct-2026 16:25       -
felipemello__nn-and-lgb-tricks-and-pipeline-for..> 05-Oct-2026 16:25       -
filemide__chemistry-of-best-models-1-801/          05-Oct-2026 16:25       -
filemide__distance-criskiev-hyparam-cont-1-66/     05-Oct-2026 16:25       -
filemide__keras-neural-net-and-distance-features/  05-Oct-2026 16:25       -
filemide__schnet-starter-kit/                      05-Oct-2026 16:25       -
fnands__1-mpnn/                                    05-Oct-2026 16:25       -
fnands__internalmakegraphinput/                    05-Oct-2026 16:25       -
fnands__makegraphinput/                            05-Oct-2026 16:25       -
fnands__mpnn-skip-2/                               05-Oct-2026 16:25       -
fulowa__creating-smiles/                           05-Oct-2026 16:25       -
fulowa__visualization/                             05-Oct-2026 16:25       -
geoman3__initial-data-foray/                       05-Oct-2026 16:25       -
ggeo79__j-coupling-lightbgm-gpu-dihedral-angle/    05-Oct-2026 16:25       -
gideonvos__r-lightgbm-1-580/                       05-Oct-2026 16:25       -
gmzyakut__molecules/                               05-Oct-2026 16:25       -
gontcharovd__basic-feature-creation-made-easy-w..> 05-Oct-2026 16:25       -
googlemkunthe__trick-of-divided-for-loop/          05-Oct-2026 16:25       -
graf10a__pmp-basic-eda/                            05-Oct-2026 16:25       -
gtteixeira__deepchem-using-additional-data-for-..> 05-Oct-2026 16:25       -
gunnyliu__explore-molecules/                       05-Oct-2026 16:25       -
harkirat155__someresourcesfyi-sharing-as-i-find..> 05-Oct-2026 16:25       -
harshit92__fork-from-kernel-1-481/                 05-Oct-2026 16:25       -
harshitt21__predicting-molecular-properties-usi..> 05-Oct-2026 16:25       -
hau8899__dual-mpnn/                                05-Oct-2026 16:25       -
hau8899__mpnn-visualization/                       05-Oct-2026 16:25       -
hau8899__pytorch-dgl-schnet-a-graph-convolution..> 05-Oct-2026 16:25       -
hau8899__schnet-1/                                 05-Oct-2026 16:25       -
hd2019__using-rdkit-and-pyg-for-graph-model-dat..> 05-Oct-2026 16:25       -
hervind__distance-and-target-visualization/        05-Oct-2026 16:25       -
hervind__speed-up-coulomb-interaction-56x-faster/  05-Oct-2026 16:25       -
hhtun21__keras-dnn/                                05-Oct-2026 16:25       -
hiteshsom__predicting-molecular-properties-firs..> 05-Oct-2026 16:25       -
hostil__champs-data-table-features-and-top-4-co..> 05-Oct-2026 16:25       -
hotvar__regression-approach/                       05-Oct-2026 16:25       -
hpc8899__dual-mpnn/                                05-Oct-2026 16:25       -
hpc8899__mpnn-skip-2/                              05-Oct-2026 16:25       -
hrmello__is-type-related-to-scalar-coupling/       05-Oct-2026 16:25       -
hueahgase189__dual-mpnn/                           05-Oct-2026 16:25       -
hueahgase189__mpnn-skip/                           05-Oct-2026 16:25       -
incals__kernel4d50314976/                          05-Oct-2026 16:25       -
infoabhitech__predicting-molecular-properties/     05-Oct-2026 16:25       -
inversion__atomic-distance-benchmark/              05-Oct-2026 16:25       -
jaehyeongan__molecular-prediction-basic-eda-and..> 05-Oct-2026 16:25       -
jagannathrk__keras-neural-net-for-champs/          05-Oct-2026 16:25       -
jazivxt__all-this-over-a-dog/                      05-Oct-2026 16:25       -
jesucristo__single-lgbm-2-242-top54/               05-Oct-2026 16:25       -
jian1201__fork-from-kernel-1-481/                  05-Oct-2026 16:25       -
jjohnsumn__eda-champs/                             05-Oct-2026 16:25       -
jmtest__molecule-with-openbabel/                   05-Oct-2026 16:25       -
joatom__nearest-molecular-neighbors/               05-Oct-2026 16:25       -
joshuaokolo__3d-molecule-visualization/            05-Oct-2026 16:25       -
joshuaokolo__exploring-molecular-properties/       05-Oct-2026 16:25       -
joshuaokolo__predicting-molecular-properties/      05-Oct-2026 16:25       -
joshxsarah__custom-gcn-10th-place-solution/        05-Oct-2026 16:25       -
joydeb28__ml-models/                               05-Oct-2026 16:25       -
jpmiller__another-distance-calculation-gpu-supe..> 05-Oct-2026 16:25       -
jpnewmenji__exploration/                           05-Oct-2026 16:25       -
kabure__lightgbm-full-pipeline-model/              05-Oct-2026 16:25       -
kabure__simple-eda-lightgbm-autotuning-w-hyperopt/ 05-Oct-2026 16:25       -
kazumakuroda__edited-schnet-starter-kit/           05-Oct-2026 16:25       -
kenmatsu4__3d-structure-plots/                     05-Oct-2026 16:25       -
kfurudate__first-kaggle/                           05-Oct-2026 16:25       -
khiwila__kernel23577c2198/                         05-Oct-2026 16:25       -
khiwila__kernel94fee73d73/                         05-Oct-2026 16:25       -
kingychiu__1-r-3/                                  05-Oct-2026 16:25       -
kingychiu__inverse-square-law/                     05-Oct-2026 16:25       -
kirichenko17roman__simple-lightgbm-in-r/           05-Oct-2026 16:25       -
kmat2019__effective-feature/                       05-Oct-2026 16:25       -
kmat2019__neural-network-modeling-with-multiple..> 05-Oct-2026 16:25       -
kmat2019__ring-structure-features/                 05-Oct-2026 16:25       -
ksayantani__starter-code/                          05-Oct-2026 16:25       -
kszczupak__feature-generator-basic-distance/       05-Oct-2026 16:25       -
kublakahn__another-simple-lightgbm-in-r/           05-Oct-2026 16:25       -
lakshmi25npathi__molecular-properies/              05-Oct-2026 16:25       -
laleh83__predicting-molecular-properties-modeling/ 05-Oct-2026 16:25       -
lalitapatel__use-all-property-files-for-molecul..> 05-Oct-2026 16:25       -
latimerb__r-linear-regression-tutorial/            05-Oct-2026 16:25       -
leonshangguan__molecule-eda-including-3d-public..> 05-Oct-2026 16:25       -
lesamu__easily-extract-bond-information-with-op..> 05-Oct-2026 16:25       -
levanlinh__dual-mpnn/                              05-Oct-2026 16:25       -
linards__feature-generation-with-molmod-library/   05-Oct-2026 16:25       -
linh21122434__mpnn-visualization/                  05-Oct-2026 16:25       -
linhlpv__dual-mpnn/                                05-Oct-2026 16:25       -
linhlpv__gen-mol-feats/                            05-Oct-2026 16:25       -
linhlpv__train1-kaggle/                            05-Oct-2026 16:25       -
linhlpv__vanilla-schnet-v1/                        05-Oct-2026 16:25       -
lkuen89__feature-engineering-with-structures-fi..> 05-Oct-2026 16:25       -
lpachuong__statstack/                              05-Oct-2026 16:25       -
lvulliard__linear-regression-approach/             05-Oct-2026 16:25       -
lvulliard__regression-approach/                    05-Oct-2026 16:25       -
mahadevv__graph-based-feature-generation/          05-Oct-2026 16:25       -
makahana__pointnet/                                05-Oct-2026 16:25       -
manasghosal__brnn-using-additional-dataset/        05-Oct-2026 16:25       -
manojprabhaakr__base-model-molecular-properties..> 05-Oct-2026 16:25       -
manojprabhaakr__fast-eda-pandas-profiling/         05-Oct-2026 16:25       -
marcelotamashiro__lgb-public-kernels-plus-more-..> 05-Oct-2026 16:25       -
marciodelima__predicaomolecular/                   05-Oct-2026 16:25       -
marcogorelli__criskiev-s-distances-more-estimat..> 05-Oct-2026 16:25       -
marianeg__learning-a-bit-about-molecule-structures 05-Oct-2026 16:25       -
matheusfrota__implementing-model-with-catboost/    05-Oct-2026 16:25       -
maxkapsecker__principal-component-analysis-of-s..> 05-Oct-2026 16:25       -
milkshakespeare__keras-neural-net-for-champs-e0..> 05-Oct-2026 16:25       -
milkshakespeare__using-meta-features-to-improve..> 05-Oct-2026 16:25       -
mittalh__predicting-mol-prop/                      05-Oct-2026 16:25       -
mkakhil__notebook868151093a/                       05-Oct-2026 16:25       -
mmezni__linear-regression/                         05-Oct-2026 16:25       -
mrfrancois__merging-data-frames-and-creating-si..> 05-Oct-2026 16:25       -
mykolazotko__3d-visualization-of-magnetic-inter..> 05-Oct-2026 16:25       -
mykolazotko__3d-visualization-of-molecules-with..> 05-Oct-2026 16:25       -
mykolazotko__xyz2graph-xyz-file-to-molecular-graph 05-Oct-2026 16:25       -
namesj__beating-benchmark-with-linear-regression/  05-Oct-2026 16:25       -
narendra__eda-molecular-properties/                05-Oct-2026 16:25       -
nasere__predict-molecular/                         05-Oct-2026 16:25       -
nicoliaraujo__link-prediction-using-gnn/           05-Oct-2026 16:25       -
nikitinale__distance-criskiev-hyparam-cont-1-662/  05-Oct-2026 16:25       -
pappukrjha__know-data-using-pandas-and-seaborn/    05-Oct-2026 16:25       -
pestipeti__interactive-3d-molecule-structure/      05-Oct-2026 16:25       -
petersk20__openbabel-kernel-error/                 05-Oct-2026 16:25       -
petersk20__schnet-10th-place-solution/             05-Oct-2026 16:25       -
phykn88__attention-example/                        05-Oct-2026 16:25       -
pipboyguy__initial-eda-molecules/                  05-Oct-2026 16:25       -
plvicente__kernelaf28659e48/                       05-Oct-2026 16:25       -
prabhatkumarsahu__predicting-molecular-properti..> 05-Oct-2026 16:25       -
prashantmahamuni__measuringmagneticinteractions/   05-Oct-2026 16:25       -
prashantmahamuni__number-of-items-in-each-molecule 05-Oct-2026 16:25       -
pridegoodmusic__cis-trans-isomerism-feature/       05-Oct-2026 16:25       -
princesharma10__r-dashboard/                       05-Oct-2026 16:25       -
priteshshrivastava__molecular-properties-blendi..> 05-Oct-2026 16:25       -
puppakcheera__easy-cif-to-smiles-conversion/       05-Oct-2026 16:25       -
rajaguru__data-validation-undestanding-tensorfl..> 05-Oct-2026 16:25       -
rajwardhanshinde__another-one/                     05-Oct-2026 16:25       -
rajwardhanshinde__blend-of-blends/                 05-Oct-2026 16:25       -
rakibilly__fastai-tabular-starter/                 05-Oct-2026 16:25       -
rakibilly__faster-distance-calculation-from-ben..> 05-Oct-2026 16:25       -
ramanchandra__predicting-molecualr-properties/     05-Oct-2026 16:25       -
rangsiman__testing/                                05-Oct-2026 16:25       -
redfoongus__predicting-molecular-properties-lig..> 05-Oct-2026 16:25       -
returnofsputnik__stop-using-distance-matrix-com..> 05-Oct-2026 16:25       -
rexhaif__metric-benchmark/                         05-Oct-2026 16:25       -
rhortelanos__get-your-data-ready-to-eda-distances/ 05-Oct-2026 16:25       -
ricardtrinchet__exploratory-analysis-and-cluste..> 05-Oct-2026 16:25       -
rio114__coulomb-interaction-speed-up/              05-Oct-2026 16:25       -
rishabh155__simple-eda/                            05-Oct-2026 16:25       -
robertburbidge__atomic-properties/                 05-Oct-2026 16:25       -
robertburbidge__distance-features/                 05-Oct-2026 16:25       -
robertburbidge__evaluating-magnetic-shield-tensors 05-Oct-2026 16:25       -
robertburbidge__imputing-magnetic-shielding-tensor 05-Oct-2026 16:25       -
robertburbidge__imputing-molecular-features/       05-Oct-2026 16:25       -
robertburbidge__predicting-with-acsfs-cv-0-504/    05-Oct-2026 16:25       -
robertburbidge__two-stage-lightgbm-with-hyperopt/  05-Oct-2026 16:25       -
robertburbidge__using-estimated-mulliken-charges/  05-Oct-2026 16:25       -
robikscube__baseline-lgb-script-molecular-prope..> 05-Oct-2026 16:25       -
robikscube__exploring-the-target-scalar-couplin..> 05-Oct-2026 16:25       -
robikscube__the-race-to-predict-molecular-prope..> 05-Oct-2026 16:25       -
robin111__molecule-transformer-w-message-passing/  05-Oct-2026 16:25       -
roccomeli__easy-xyz-to-smiles-conversion/          05-Oct-2026 16:25       -
rohanrao__basic-dashboard-of-visualizations-in-r/  05-Oct-2026 16:25       -
rohanrao__competition-metric-in-r/                 05-Oct-2026 16:25       -
rohanrao__eda-features-models-starter-code-in-r/   05-Oct-2026 16:25       -
rohit97__lgb-with-data-exploartion/                05-Oct-2026 16:25       -
roydatascience__chemistry-of-best-models-1-895/    05-Oct-2026 16:25       -
roydatascience__predicting-molecular-properties..> 05-Oct-2026 16:25       -
roydatascience__steal-like-an-electron/            05-Oct-2026 16:25       -
roydatascience__tuning-molecules-using-bayesian..> 05-Oct-2026 16:25       -
roymurphy99__predicting-molecular-properties-ed..> 05-Oct-2026 16:25       -
rpeer333__champs-competition-baseline-trivial-p..> 05-Oct-2026 16:25       -
rpeer333__molecular-properties-detailed-eda/       05-Oct-2026 16:25       -
rpeer333__only-distance-type-and-angle-of-10-ne..> 05-Oct-2026 16:25       -
rpeer333__pytorch-dgl-schnet-a-graph-convolutio..> 05-Oct-2026 16:25       -
rpeer333__super-simple-10-nearest-atoms-features/  05-Oct-2026 16:25       -
ruhong__champs-scalar-coupling-blend/              05-Oct-2026 16:25       -
ruhong__champs-scalar-coupling-blend-median/       05-Oct-2026 16:25       -
ruhong__champs-scalar-coupling-eda-baseline/       05-Oct-2026 16:25       -
ruhong__champs-scalar-coupling-keras/              05-Oct-2026 16:25       -
ruhong__champs-scalar-coupling-lasso/              05-Oct-2026 16:25       -
ruhong__champs-scalar-coupling-lgb/                05-Oct-2026 16:25       -
ruhong__champs-scalar-coupling-preprocess/         05-Oct-2026 16:25       -
ruhong__champs-scalar-coupling-rf/                 05-Oct-2026 16:25       -
ruhong__champs-scalar-coupling-xgb/                05-Oct-2026 16:25       -
ruhong__keras-neural-net-for-champs/               05-Oct-2026 16:25       -
sagheachraf__feature-engineering-physical-chemi..> 05-Oct-2026 16:25       -
sai2020__predmolprop-linearregression/             05-Oct-2026 16:25       -
sai2020__predmolprop-modeling-xgboost-tuning/      05-Oct-2026 16:25       -
saibot99__easy-xyz-to-smiles-conversion/           05-Oct-2026 16:25       -
sameerdev7__simple-eda-lightgbm-catboost/          05-Oct-2026 16:25       -
saurabh7__compact-feature-engineering-lgbm-py-v..> 05-Oct-2026 16:25       -
scaomath__lb-2-0-features-dscribe-acsf-descriptors 05-Oct-2026 16:25       -
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scaomath__mpnn-fit-generator/                      05-Oct-2026 16:25       -
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votes-meta.json                                    18-Oct-2026 21:23     43K
votes.json                                         25-Oct-2026 06:44     31K