GEMGen: Phenotype-Guided Drug Discovery LLM

github.com/dls5-omics/gemgen
Active11updated 2 months ago
Python
Apache-2.0

GEMGen is a Large Language Model (LLM) framework for in silico phenotypic drug discovery. It generates small molecules directly from transcriptomic representations of cellular states by encoding desired phenotypic transitions as text.

Sourced from

  • GitHub — github.com/dls5-omics/gemgen

Related resources

A Deep Learning Library for Compound and Protein Modeling DTI, Drug Property, PPI, DDI, Protein Function Prediction.

Stale1.2K2 years ago
Jupyter Notebook
BSD-3-Clause

Deep learning library for Chemistry based on Tensorflow

Active7K2 months ago
Python
MIT

Directed message passing neural networks for property prediction of molecules and reactions with uncertainty and interpretation.

Active2.5K2 months ago
Python
NOASSERTION

Provides functionality for producing geometric representations of protein and RNA structures, and biological interaction networks.

Active1.2K1 month ago
Jupyter Notebook
MIT

A benchmarking platform for molecular generation models.

Stale9892 years ago
Python
MIT

E(3)-equivariant neural network interatomic potentials achieving DFT accuracy with up to 1000× less training data than invariant models, foundational architecture behind MACE and Allegro (Harvard, MIT, Nature Communications 2022)

Active9691 month ago
Python
MIT