atomicarchitects/symphony
[ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
This project helps computational chemists and materials scientists design new molecules. By taking existing molecular structure data, it intelligently generates novel molecular structures with specific properties. The output is a set of potential new molecules ready for further analysis or synthesis, assisting researchers in drug discovery or materials engineering.
No commits in the last 6 months.
Use this if you need to rapidly explore chemical space and generate diverse molecular candidates for drug design or new material discovery.
Not ideal if you are a bench chemist looking for a simple, direct experimental protocol rather than computational molecule design.
Stars
28
Forks
6
Language
Python
License
MIT
Category
Last pushed
Feb 24, 2025
Commits (30d)
0
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