Update environment to reflect what is needed for current functionality

uiocompcat / tmcinvdes

Public repository for preprint "Deep Generative Model for the Dual-Objective Inverse Design of Metal Complexes"

MIT License

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Update environment to reflect what is needed for current functionality #12

Closed Strandgaard96 closed 4 months ago

Strandgaard96 commented 4 months ago

Update README to only reflect environment needed for current functionality
Update xtb version to reflect what was stated in previous README.md

Removed unnecessary environment setup instructions. Simply running conda install with the given .yml file should be more than enough to run what is currently in the repo.