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Uploaded Fri Dec 6 08:38:30 2024
md5 checksum 0fd919e68fd567d817afb5817ddce67c
arch x86_64
build py39h2e92cda_0
depends python 3.9.*, numpy >=1.17, natsort >=8.4.0, joblib >=1.3.2, scikit-learn >=1.3.2, nglview >=3.1.2, ipywidgets, pandas >=1.1.2, pint >=0.21, acemd-base >=4, ambertools >=22, matplotlib >=3.7.3, protocolinterface >=0.4.7, networkx >=2.8.8, openmm >=8.1.1, tqdm >=4.66.2, moleculekit >=1.9.16, jobqueues >=0.6.5, deeptime >=0.4.3, h5py >=3.8.0, scipy >=1.10.1, propka >=3.4.0, pdb2pqr >=3.5.2+18, mdtraj >=1.9.9, plumed >=2.7.3, openbabel >=3.1.1, rdkit >=2020.9.3, biopython >=1.83, ipython >=8.12.2, jupyter_console >=6.6.3, notebook >=7.1.1, openpyxl >=3.1.2, vina >=1.1.101, pymol-open-source >=2.5.0, parmed >=3.4.4, python_abi 3.9.* *_cp39
license LicenseRef-HTMD
machine x86_64
operatingsystem linux
platform linux
subdir linux-64
target-triplet x86_64-any-linux
timestamp 1733474215288