Python-centric Cookiecutter for Molecular Computational Chemistry Packages
created at March 15, 2018, 2:52 p.m.
25 +0
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OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
created at July 10, 2018, 1:27 a.m.
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Message Passing Neural Networks for Molecule Property Prediction
created at Jan. 25, 2019, 11:33 p.m.
37 +0
1,583 +6
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An open library for the analysis of molecular dynamics trajectories
created at Nov. 8, 2012, 10:01 p.m.
48 +0
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Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
created at Nov. 28, 2017, 10:35 a.m.
55 +0
614 +0
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Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
created at Sept. 24, 2015, 11:20 p.m.
148 +1
5,187 +14
1,625 +1