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ChemBioHTP / EnzyHTP

EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
https://enzyhtp-doc.readthedocs.io
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Out-of-the-box installation with Conda and Python 3.9. #140

Closed SwordJack closed 10 months ago

SwordJack commented 10 months ago

Dear colleagues,

This commit is to enable out-of-the-box installation of EnzyHTP (refactor) to deal with the conflicts among packages and painful Solving Environments loading. An environment.yml file is provided with specified dependency versions and builds, as well as a conda-install script in the dev-tools directory.

Feel free to let me know if you have any questions.

Best wishes!

shaoqx commented 10 months ago

Great job! Looks good for a temp use before finishing the refactoring. Please address these comment and I will approve the PR.