Pinned Repositories
7z
7-Zip Official Chinese Simplified Git Repository (Homepage and 7z Extra package)
acpype
A tool based in Python to use Antechamber to generate topologies for chemical compounds and to interface with others python applications like CCPN or ARIA.
aima-python
Python implementation of algorithms from Russell And Norvig's "Artificial Intelligence - A Modern Approach"
amber-dyes
AMBER DYES Force Field
apbs-pdb2pqr
APBS and PDB2PQR software
aria2
aria2 is a lightweight multi-protocol & multi-source, cross platform download utility operated in command-line. It supports HTTP/HTTPS, FTP, SFTP, BitTorrent and Metalink.
ARL-UPPER
rdkit
The official sources for the RDKit library
SAMPL6
Challenge inputs and details for the SAMPL6 challenge
qize's Repositories
qize/Frog2
2D/3D generation for small compounds
qize/simtk.unit
Python Units