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Uploaded Thu Feb 22 09:46:19 2024
md5 checksum 83251dfb4a8b4f611af6c7d043fe0eb2
arch x86_64
build py39_0
depends acemd >=3.7.1, ambertools >=22, anaconda-client >=1.12.1, biopython >=1.83, deeptime >=0.4.3, h5py >=3.8.0, ipython >=8.18.1, ipywidgets <8, joblib >=1.3.2, jobqueues >=0.6.5, jupyter_console >=6.6.3, matplotlib >=3.8.3, mdtraj >=1.9.9, moleculekit >=1.2.5, natsort >=8.4.0, networkx >=2.8.8, nglview >=3.1.1, notebook >=7.1.0, numpy >=1.17, openbabel >=3.1.1, openmm >=8.1.1, openpyxl >=3.1.2, pandas >=1.1.2, pdb2pqr >=3.5.2+18, pint >=0.23, plumed >=2.7.3, propka >=3.4.0, protocolinterface >=0.4.7, pymol-open-source >=2.5.0, python >=3.9,<3.10.0a0, python_abi 3.9.* *_cp39, rdkit >=2020.09.3, scikit-learn >=1.4.1.post1, scipy >=1.10.1, tqdm >=4.66.2, vina >=1.1.101
machine x86_64
operatingsystem linux
platform linux
subdir linux-64
target-triplet x86_64-any-linux
timestamp 1708595042604