Psi Phi Quantum Mechanics
Open-source quantum chemisty, cheminfomatics and machine learning stuff
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dataset-proton-affinity
dataset-proton-affinity PublicDataset for proton affinity of small molecules. Based on http://gdb.unibe.ch/downloads/
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ppqm/hpce_utils’s past year of commit activity - dataset-proton-affinity Public
Dataset for proton affinity of small molecules. Based on http://gdb.unibe.ch/downloads/
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ppqm/ppqm_fortran’s past year of commit activity - ppqm.github.io Public
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