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10 public repositories
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A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
Updated
May 21, 2025
Python
HTMD: Programming Environment for Molecular Discovery
Updated
Apr 11, 2025
Rich Text Format
a python package for the interfacial analysis of molecular simulations
Updated
May 27, 2025
Python
ASE calculator for RASPA2
Updated
Feb 1, 2025
Python
Pore generator for molecular simulations.
Updated
Mar 31, 2025
Python
A lightweight package to parse and process molecular simulation files
Updated
Jun 21, 2024
Python
AI-driven framework for automated ChIMES model development
Updated
Nov 16, 2022
Python
หนังสืออัลกอริทึมสำหรับการจำลองทางคอมพิวเตอร์ของระบบโมเลกุล
An Autodock Vina automation project with basic data analysis tools.
Updated
May 20, 2025
Python
Diffusions maps using JAX
Updated
Aug 9, 2023
Python
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