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GitHub / NVIDIA / cheminformatics
Facilitates searching, screening, and organizing large chemical databases
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NVIDIA%2Fcheminformatics
Stars: 142
Forks: 38
Open Issues: 12
License: None
Language: Jupyter Notebook
Repo Size: 51.9 MB
Dependencies:
31
Created: over 3 years ago
Updated: 6 months ago
Last pushed: about 1 year ago
Last synced: 6 months ago
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Dependencies
- flake8 ==3.7.8
- pydocstyle ==5.0.1
- sphinx ==2.3.1
- dask *
- sqlalchemy ==1.3.20
- autopep8 ==1.5.4
- chembl_webresource_client ==0.10.2
- dash ==1.19.0
- dash_bootstrap_components ==0.11.1
- dash_core_components ==1.15.0
- dash_html_components ==1.1.2
- dask ==2021.10.0
- dask_ml ==1.8.0
- distributed ==2021.10.0
- flask-restplus ==0.13.0
- grpcio *
- hydra-core ==1.1.1
- jupyter-dash ==0.4.0
- locust ==1.4.3
- matplotlib ==3.3.4
- openpyxl ==3.0.6
- plotly ==4.9.0
- progressbar2 ==3.53.1
- protobuf ==3.15.0
- pytest ==6.2.2
- sqlalchemy ==1.3.20
- tables ==3.6.1
- tabulate ==0.8.7
- tensorflow-gpu ==1.15.5
- umap-learn ==0.5.1
- waitress ==2.1.2