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GitHub / openkinome / kinase-docking-benchmark
Benchmarking of cross-docking strategies for kinases
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/openkinome%2Fkinase-docking-benchmark
Stars: 1
Forks: 0
Open Issues: 2
License: mit
Language: Jupyter Notebook
Repo Size: 21.7 MB
Dependencies:
35
Created: over 2 years ago
Updated: about 2 years ago
Last pushed: about 1 year ago
Last synced: about 1 year ago
Files
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Dependencies
environment.yaml
conda
- appdirs
- awkward
- biopandas
- biotite
- bravado
- codecov
- dask
- dask-jobqueue
- jupyterlab
- kissim
- matplotlib-base
- mdanalysis >=2.0.0
- nglview
- opencadd
- openeye-toolkits >=2020.2.0
- openff-toolkit >=0.9
- pandas
- papermill 2.2.*
- pint
- pip
- pyarrow
- pyg
- pymol-open-source
- pytest
- pytest-cov
- python
- pytorch >=1.8.0
- pytorch-lightning
- rdkit
- requests
- ruamel.yaml
- spyrmsd
- tqdm
- watermark
- xgboost