JonathanHungerland

gpt-researcher

GPT based autonomous agent that does online comprehensive research on any given topic

alphafold

Open source code for AlphaFold.

grappa

A Machine Learned Molecular Mechanics Force Field with integration into GROMACS and OpenMM

GAAMP-Downloadable-Source-Code

safep

Tools for Analyzing and Debugging (SA)FEP calculations. See also the SAFEP Tutorial: https://github.com/jhenin/SAFEP_tutorial/tree/main Documentation: https://safep-alchemy.readthedocs.io/en/latest/