Pinned Repositories
deeplearningbook-chinese
Deep Learning Book Chinese Translation
DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
minimind
【大模型】3小时完全从0训练一个仅有26M的小参数GPT，最低仅需2G显卡即可推理训练！
neural-fingerprint
Convolutional nets which can take molecular graphs of arbitrary size as input.
openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
OpenVS
Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"
rdkit
The official sources for the RDKit library
RoseTTAFold-All-Atom
rosetta
The Rosetta Bio-macromolecule modeling package.
gfzhou's Repositories
gfzhou/OpenVS
Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"
gfzhou/deeplearningbook-chinese
Deep Learning Book Chinese Translation
gfzhou/DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
gfzhou/minimind
【大模型】3小时完全从0训练一个仅有26M的小参数GPT，最低仅需2G显卡即可推理训练！
gfzhou/neural-fingerprint
Convolutional nets which can take molecular graphs of arbitrary size as input.
gfzhou/openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
gfzhou/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
gfzhou/rdkit
The official sources for the RDKit library
gfzhou/rosetta
The Rosetta Bio-macromolecule modeling package.
gfzhou/RoseTTAFold-All-Atom