artgor/molecular-properties-eda-and-models
artgor/brute-force-feature-engineering
artgor/using-meta-features-to-improve-model
todnewman/keras-neural-net-for-champs
borisdee/how-to-easy-visualization-of-molecules
criskiev/distance-is-all-you-need-lb-1-481
titericz/giba-r-data-table-simple-features-1-17-lb
adrianoavelar/eachtype
cpmpml/ultra-fast-distance-matrix-computation
kabure/simple-eda-lightgbm-autotuning-w-hyperopt
fnands/1-mpnn
seriousran/just-speed-up-calculating-atomic-distances
borisdee/predicting-mulliken-charges-with-acsf-descriptors
toshik/schnet-starter-kit
adrianoavelar/bond-calculaltion-lb-0-82
asauve/dataset-with-number-of-bonds-between-atoms
artgor/validation-feature-selection-interpretation-etc
adrianoavelar/bond-calculation-lb-0-82
inversion/atomic-distance-benchmark
speedwagon/permutation-importance
asauve/v7-estimation-of-mulliken-charges-with-open-babel
uberkinder/efficient-metric
cdeotte/molecule-animations
robikscube/the-race-to-predict-molecular-properties
marcelotamashiro/lgb-public-kernels-plus-more-features
asauve/training-set-molecule-visualization
jmtest/molecule-with-openbabel
roydatascience/chemistry-of-best-models-1-895
mykolazotko/3d-visualization-of-molecules-with-plotly
kabure/lightgbm-full-pipeline-model
marcogorelli/criskiev-s-distances-more-estimators-groupkfold
scirpus/angles-and-distances-and-partial-charges
abhishek/competition-metric
zaharch/quantum-machine-9-qm9
xwxw2929/keras-neural-net-and-distance-features
aekoch95/bonds-from-structure-data
fnands/makegraphinput
corochann/eda-and-graph-nn-baseline-modeling
allunia/molecules-eda
jesucristo/single-lgbm-2-242-top54
kmat2019/effective-feature
rohanrao/eda-features-models-starter-code-in-r
archaizzard/simple-basics-of-nmr
scaomath/no-memory-reduction-workflow-for-each-type-lb-1-28
code1110/eda-for-additional-data-are-they-useful
scaomath/qm7-coulomb-matrix-eigenvalue-features
scaomath/parallelization-of-coulomb-yukawa-interaction
rio114/coulomb-interaction-speed-up
vicensgaitan/giba-r-data-table-simplefeat-cyv-interaction
tarunpaparaju/champs-competition-chemistry-background-and-eda
