LazyDock: Faster, Easier, and All-In-One Experence in Docking & MD

Downloads

GitHub language count

Get start

pip install lazydock -U

LazyDock is a python package that provides a fast, easy, and all-in-one experience in docking and MD.

For molecular docking, it has tools help pocket detect, parameters file distrbute, batchlize docking perform (via Vina, HDOCK...), docking result convertng, batchlize interaction analysis (support PyMOL, PLIP, LigPlus).
For molecular dynamic simulation (GROMACS), it has tools help box settings, ligand, protein(s), ligand-protein system preparation, energy minimization, equilibration, product MD run in batch mode.
For molecular dynamic simulation analysis, it has tools help basic analysis (GROMACS), Elastic Network Analysis, PCA, interaction analysis (support PyMOL, PLIP), RRCS, and so on, many of which has CUDA accelerate.

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

lazydock-0.16.0.tar.gz (242.0 kB view details)

Uploaded Sep 10, 2026 Source

Details for the file lazydock-0.16.0.tar.gz.

Hashes for lazydock-0.16.0.tar.gz
Algorithm	Hash digest
SHA256	`0d3c83b4b5f009bb503a51a2940984caa440701837f28f8970174b6d500acbd5`
MD5	`6500f771230ac07a3c7068383ffea809`
BLAKE2b-256	`cf4a88843f101b9ba07d834311333fb5d6fa1f1e010bae4d463a2de552c4b60b`