Similar repositories to theochem/B3clf:

• theochem/B3clf github similar
• virtualscreenlab/Sergey-Shityakov github similar
• theochem/DiverseSelector github similar
• zang1123/Physicochemical-Property-Prediction github similar
• QC-Edu/IntroQM2022 github similar
• theochem/gopt github similar
• theochem/B3DB github similar
• ramirandaq/MultipleComparisons github similar
• grimme-lab/crest github similar
• theochem/AtomDB github similar
• c-martinez/pydescriptors github similar
• ZhaoYilin/moha github similar
• TVect/mol_property github similar
• pulimeng/eToxPred github similar
• BeckResearchLab/PyMolSAR github similar
• vogt-m/ccbmlib github similar
• genedisco/genedisco github similar
• RaulPL/awesome-gaussian-processes github similar
• binghong-ml/MolEvol github similar
• theochem/chemtools github similar
• undeadpixel/reinvent-gdb13 github similar
• brsynth/RetroPathRL github similar
• mms-fcul/PypKa github similar
• Ryan-Rhys/FlowMO github similar
• ifyoungnet/ADMETlab github similar
• Xundrug/MolGpKa github similar
• leojklarner/gauche github similar
• Ryan-Rhys/Constrained-Bayesian-Optimisation-for-Automatic-Chemical-Design github similar
• PrincetonUniversity/auto-qchem github similar
• ecrl/padelpy github similar
• coleygroup/pyscreener github similar
• yuanqidu/awesome-graph-generation github similar
• theochem/iodata github similar
• asad/ReactionDecoder github similar
• momeara/DeepSEA github similar
• theochem/procrustes github similar
• open-reaction-database/ord-schema github similar
• flatkinson/standardiser github similar
• reymond-group/mhfp github similar
• reymond-group/map4 github similar