ARY2260 / openpomLinks
Replication of the Principal Odor Map paper by Brian K. Lee et al. (2023).
☆33Updated last month
Alternatives and similar repositories for openpom
Users that are interested in openpom are comparing it to the libraries listed below
Sorting:
- ALL Molecular ML papers from NeurIPS'24.☆58Updated 8 months ago
- ChemNLP project☆161Updated this week
- ☆44Updated last year
- Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…☆65Updated 2 years ago
- A curated list of resources for machine learning for small-molecule drug discovery☆224Updated last year
- Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42…☆231Updated 3 weeks ago
- ☆262Updated 6 months ago
- ☆22Updated 2 months ago
- ☆89Updated last year
- Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language☆98Updated 10 months ago
- torch-molecule is a deep learning package for molecular discovery, designed with an sklearn-style interface for property prediction, inve…☆262Updated this week
- Awesome De novo drugs design papers☆88Updated last year
- LLM for Drug Editing, ICLR 2024☆152Updated last year
- SMILES Pair Encoding: A data-driven substructure representation of chemicals☆203Updated 2 years ago
- Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…☆67Updated 3 months ago
- A scientific reasoning model, dataset, and reward functions for chemistry.☆108Updated 3 weeks ago
- Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc…☆122Updated 2 years ago
- ☆38Updated 9 months ago
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆93Updated 7 months ago
- The Open Source Code for LLM4SD (Large Language Models for Scientific Synthesis, Inference and Explanation)☆109Updated 6 months ago
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆242Updated last month
- Fine-tuning of ChemBERTA LLMs to predict molecules' HIV inhibition replication.☆28Updated last year
- ALL Molecular ML papers from ICLR'25.☆38Updated 4 months ago
- Collection of data sets of molecules for a validation of properties inference☆108Updated 7 years ago
- Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.☆168Updated last year
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆210Updated last month
- Combinatorial antibiotic generation☆179Updated last month
- Package for Retrosynthetic Planning☆152Updated last week
- molfeat - the hub for all your molecular featurizers☆216Updated last month
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆102Updated 8 months ago