hjkgrp / molSimplifyLinks
molSimplify code
☆195Updated last month
Alternatives and similar repositories for molSimplify
Users that are interested in molSimplify are comparing it to the libraries listed below
Sorting:
- automated reaction profile generation☆187Updated last month
- Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections☆148Updated 3 weeks ago
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆167Updated 3 weeks ago
- A unified framework for machine learning collective variables for enhanced sampling simulations☆123Updated last week
- A collection of Nerual Network Models for chemistry☆160Updated 2 weeks ago
- A Python package for calculating molecular features☆180Updated this week
- CREST - A program for the automated exploration of low-energy molecular chemical space.☆271Updated 2 months ago
- Conversion tool for molecular simulations