BioMachineLearning / openpomLinks
Replication of the Principal Odor Map paper by Lee et al (2022). The model is implemented such that it integrates with DeepChem
☆71Updated 2 months ago
Alternatives and similar repositories for openpom
Users that are interested in openpom are comparing it to the libraries listed below
Sorting:
- A scientific reasoning model, dataset, and reward functions for chemistry.☆127Updated 2 months ago
- ☆91Updated last year
- Molecular dynamics simulations with an LLM agent☆205Updated 5 months ago
- Supporting code for the paper "Discovery of a structural class of antibiotics with explainable deep learning"☆101Updated last year
- How good are LLMs at chemistry?☆111Updated last week
- ☆266Updated 7 months ago
- LLM for Drug Editing, ICLR 2024☆152Updated last year
- GT4SD, an open-source library to accelerate hypothesis generation in the scientific discovery process.☆362Updated 6 months ago
- The Open Source Code for LLM4SD (Large Language Models for Scientific Synthesis, Inference and Explanation)☆117Updated 8 months ago
- Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42…☆237Updated 2 months ago
- torch-molecule is a deep learning package for molecular discovery, designed with an sklearn-style interface for property prediction, inve…☆278Updated 3 weeks ago
- ChemNLP project☆164Updated this week
- The gzip classification method implemented for molecule classification.☆55Updated 11 months ago
- Combinatorial antibiotic generation☆184Updated 2 months ago
- The official repository for the book "Machine Learning for Drug Discovery" (Manning Publications)☆46Updated 5 months ago
- Graphium: Scaling molecular GNNs to infinity.☆235Updated 3 months ago
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆215Updated 3 months ago
- Replication of the Principal Odor Map paper by Brian K. Lee et al. (2023).