GitHub topics: partial-charges
haschka/multicube
Obtaining molecular partial charges using direct minimization
Language: C - Size: 2.01 MB - Last synced at: 2 months ago - Pushed at: over 4 years ago - Stars: 0 - Forks: 0
UnixJunkie/ACPC
Chemoinformatics tool for ligand-based virtual screening
Language: OCaml - Size: 673 KB - Last synced at: 11 days ago - Pushed at: over 2 years ago - Stars: 19 - Forks: 2
nlesc-nano/MATCH
An unofficial redistribution of the Multipurpose Atom-Typer for CHARMM (MATCH) program
Language: Rich Text Format - Size: 1.48 MB - Last synced at: 2 months ago - Pushed at: about 3 years ago - Stars: 0 - Forks: 0
