Tabular Regression
Scikit-learn
Joblib
English
protein-ligand
binding-affinity
drug-discovery
chemistry
cheminformatics
computational-biology
bioinformatics
structural-biology
molecular-biology
structure-based-drug-design
pkd-prediction
rcsb-pdb
bindingdb
extra-trees
reproducible-research
open-source
harmonic-features
millerbind
Eval Results (legacy)
Ctrl+K
Add tests, CITATION.cff, CHANGELOG, CONTRIBUTING, CODE_OF_CONDUCT, .gitignore; polish README
30f791f verified