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GitHub / RagnarB83 / ash
ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit solution, crystal or protein environment.
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/RagnarB83%2Fash
Stars: 48
Forks: 12
Open Issues: 48
License: gpl-2.0
Language: Python
Repo Size: 220 MB
Dependencies:
0
Created: over 4 years ago
Updated: 21 days ago
Last pushed: about 1 month ago
Last synced: 27 days ago
Topics: dft, mm, multiscale, python, qm, qm-mm, quantum
Files
No dependencies found