6 projects
hashmol3d
Deterministic 3D molecular geometry hashing standard
chemgraphagent
A computational chemistry agent for molecular simulation tasks.
drdoc
A documentation processing tool for identifying and correcting errors in markdown, reStructuredText, and plain text files
ezgitup
A simple tool to upload files to GitHub repositories
chemgraph
Chemical data plotting
NinjaParser
Parse .ninja_log files and print statistics.
