t-0hmura /

pdb2reaction

Small molecules · Dynamics · simulationCopyleft
GitHub ↗Paper ↗Where to run →
★
30
Updated
5w ago
Licence
GPL-3
Published
2026
Language
Python

Summary

End-to-end Reaction-Path Modeling from PDB Structures Using Machine-Learning Interatomic Potentials

Input and output

I/O not stated

Details

Access
Code link found

The paper or list names a code repository. The repository itself was not opened.

Usage signal
★ 30 · Python

Last commit 2026-09-18

Published
2026

The year the source list gave; the exact date was not checked.

Identifiers
  • doi:10.26434/chemrxiv.15003538/v2

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