Machine learning for chemistry
Project description
MLChem
MLChem is machine-learning for chemistry.
This package is written in Python, and features:
- PyTorch backend.
- GPU support.
- ASE interface.
- Completely modular. You can use any part in your project.
- Free software <3. No secrets! Pull requests and additions more than welcome!
- Good documentation (I hope!).
- Explicit and idiomatic:
mlchem.get_me_a_coffee()
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