LazyDock: Faster, Easier, and All-In-One Experence in Docking & MD
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install lazydock python package itself
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pip install lazydock -U
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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.
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Release files for lazydock 0.17.0
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Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| lazydock-0.17.0.tar.gz | 506.6 kB | Without provenance | Details for lazydock-0.17.0.tar.gz |
Release files / lazydock-0.17.0.tar.gz
| Download URL | lazydock-0.17.0.tar.gz |
|---|---|
| Size | 506.6 kB |
| Tags | Source |
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SHA-256 checksum How to use checksums |
fe83e842e36cc22e6d5c4686ae07245514e1f19758cf3be4e3b1870e1871c416
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No |
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twine/4.0.2 CPython/3.11.8
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Security for lazydock 0.17.0
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