01 / 04
research/01.md
Open source / molecular AI
torch-molecule
Contributing to an open-source Python package that makes molecular prediction, generation and representation models easier to use.
// research question
How can molecular AI models become easier to use in practical research?
// my contribution
- Integrated pretrained molecular generators, including NovoMolGen, MolGen, Molexar and SAFE-GPT.
- Contributed dataset splitting modules for molecular machine-learning workflows.