Ecosyste.ms: Awesome

An open API service indexing awesome lists of open source software.

Awesome Lists | Featured Topics | Projects

Projects in Awesome Lists tagged with partial-charges

A curated list of projects in awesome lists tagged with partial-charges .

https://github.com/unixjunkie/acpc

Chemoinformatics tool for ligand-based virtual screening

chemoinformatics lbvs ligand ocaml partial-charges

Last synced: 15 Oct 2024

https://github.com/nlesc-nano/match

An unofficial redistribution of the Multipurpose Atom-Typer for CHARMM (MATCH) program

atom-typing chemistry force-fields molecular-graph parameterization partial-charges perl

Last synced: 27 Dec 2024

https://github.com/haschka/multicube

Obtaining molecular partial charges using direct minimization

gpu-computing l1-norm minimization opencl partial-charges quantum-chemistry quantum-chemistry-programs

Last synced: 03 Jan 2025