athalea-software/chemlink

Modular HPC orchestration platform for molecular docking and dynamics — unified CLI for fpocket, AutoGrid4, AutoDock-GPU and GROMACS 2025 over SLURM.

GitHub repository with 5 stars and 0 forks.

Language: Python

Topics: autodock, bioinformatics, cheminformatics, cli, computational-chemistry, drug-discovery, gromacs, hpc, molecular-docking, molecular-dynamics

Open provider repository

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2026-11-03: 5 stars and 0 forks.

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