deepchem / deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

https://deepchem.io/

MIT License

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README for requirements #2819

Open arunppsg opened 2 years ago

arunppsg commented 2 years ago

The folder requirements contains different .yml files containing backend libraries/package which are used in DeepChem. Adding a README.md will be useful to easily understand what purpose each .yml file serves. Broadly,

env_common.yml contains libraries related to scientific applications
env_ubuntu.yml and env_mac.yml are dependencies which are supported only on those specific OSes.
jax, tensorflow and torch folder contains installation procedure for deep learning backends

csking101 commented 1 year ago

Hi, I think I can club this issue with the typo in the CONTRIBUTING.md file. Could you assign this issue to me?

3224

Param1304 commented 8 months ago

I have created a README file enlisting the detailed purpose for each yml file in requirements folder and made a pull request to merge that with main branch. Kindly review it