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