BiomedSciAI / biomed-multi-viewLinks
This repository contains the implementation of the Multi-view Molecular Embedding with Late Fusion (MMELON) architecture. MMELON combines molecular representations from three views — image, graph, and text —to learn a joint embedding that can be finetuned for downstream tasks in chemical and biological property prediction.
☆39Updated 3 months ago
Alternatives and similar repositories for biomed-multi-view
Users that are interested in biomed-multi-view are comparing it to the libraries listed below
Sorting:
- Chemical representation learning paper in Digital Discovery☆61Updated last year
- ☆23Updated last year
- Synthetic Bayesian Classification☆47Updated 4 years ago
- Recursion's molecular foundation model☆58Updated 3 months ago
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆28Updated 11 months ago
- Useful functions for working with small molecules☆54Updated 2 weeks ago
- ☆30Updated 2 years ago
- Sample-efficient Generative Molecular Design using Memory Manipulation☆62Updated 3 months ago
- ☆43Updated 6 months ago
- ☆28Updated 2 months ago
- ☆15Updated 3 years ago
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.☆65Updated 2 months ago
- ☆37Updated last year
- Machine Learning dataset splitting for life sciences.☆32Updated last year
- Atom-in-SMILES tokenizer for SMILES strings.☆40Updated last year
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆36Updated last year
- RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch☆26Updated last year
- The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.☆28Updated last year
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆34Updated last year
- CheMeleon Descriptor-based Foundation Model☆90Updated last week
- A concise and easy-to-customize reimplementation of "ChemProp" (Yang et al, 2019) in PyTorch Geometric.☆23Updated 3 years ago
- Diffusion-based molecule conformer generation☆42Updated last year
- ☆28Updated last year
- ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation☆16Updated last year
- ☆26Updated last year
- ☆28Updated 2 years ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆39Updated 4 years ago
- Molecular Out-Of-Distribution☆38Updated 5 months ago
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆77Updated 4 months ago
- Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules☆15Updated last year