Open connorcoley opened 3 months ago
Pat Walters’ practical cheminformatics Derek Lowe’s in the pipeline
Sent from my phone; please excuse my brevity
On Tue, Jul 2, 2024 at 01:44 Kevin Yu @.***> wrote:
Some external ideas:
- Andrew White's book: https://dmol.pub/intro.html
- Greg Landrum rdkit blog: https://greglandrum.github.io/rdkit-blog/
- Smarts.plus: https://smarts.plus/
- Distill: https://distill.pub/
- DeepChem: https://deepchem.io/tutorials/the-basic-tools-of-the-deep-life-sciences/
Internal:
- ML4MolEng sets: https://github.com/coleygroup/ML4MolEng
- OpenRetro
- MolScribe / RxnScribe / OpenChemIE
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Some external ideas:
Internal: