yishutu Goto Github PK
Name: Yi-Shu Tu
Type: User
Yi-Shu Tu's Projects
acpype
Automatically exported from code.google.com/p/acpype
advanced-python-language-features-4311093
This repo is for the Linkedin Learning course: Advanced Python: Language Features
b3pp
cclib
Parsers and algorithms for computational chemistry logfiles
cmdm-lab.github.io
Live version of lab website
game
Source code and datasets of G.A.M.E. - GPU-Accelerated Mixture Elucidator
gnina
A deep learning framework for molecular docking
innerouterrnn
Inner- and Outer Recursive Neural Networks for Chemoinformatics
nwchem-wiki
NWChem Documentation
openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
openbabel-documentation
Sphinx-based documentation for the Open Babel project
openchem
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
rdkit
The official sources for the RDKit library
rdkit_platform_wheels
RDKit platform python wheels
yishutu.github.io
Yi-shu Tu github webpage
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