-
OpenVS Public
Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"
-
minimind Public
Forked from jingyaogong/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！
Python Apache License 2.0 UpdatedSep 11, 2024 -
rosetta Public
Forked from RosettaCommons/rosettaThe Rosetta Bio-macromolecule modeling package.
C++ Other UpdatedJul 14, 2024 -
RoseTTAFold-All-Atom Public
Forked from baker-laboratory/RoseTTAFold-All-AtomPython Other UpdatedJun 26, 2024 -
openbabel Public
Forked from openbabel/openbabelOpen Babel is a chemical toolbox designed to speak the many languages of chemical data.
C++ GNU General Public License v2.0 UpdatedOct 24, 2023 -
DiffDock Public
Forked from gcorso/DiffDockImplementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Python MIT License UpdatedApr 28, 2023 -
openmm Public
Forked from openmm/openmmOpenMM is a toolkit for molecular simulation using high performance GPU code.
C++ UpdatedJan 22, 2023 -
rdkit Public
Forked from rdkit/rdkitThe official sources for the RDKit library
C++ Other UpdatedJun 12, 2019 -
deeplearningbook-chinese Public
Forked from exacity/deeplearningbook-chineseDeep Learning Book Chinese Translation
TeX UpdatedDec 28, 2018 -
neural-fingerprint Public
Forked from HIPS/neural-fingerprintConvolutional nets which can take molecular graphs of arbitrary size as input.
TeX MIT License UpdatedJan 23, 2018
{{ message }}