BiomedSciAI / fuse-drugLinks
FuseMedML based molecular biochemistry library for drug discovery/repurposing
☆23Updated 2 weeks ago
Alternatives and similar repositories for fuse-drug
Users that are interested in fuse-drug are comparing it to the libraries listed below
Sorting:
- Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions☆24Updated 2 years ago
- This repo contains the results data for Round 1 of Adaptyv Bio’s EGFR Protein Design Competition.☆34Updated last year
- StarGazer is a tool designed for rapidly assessing drug repositioning opportunities. It combines multi-source, multi-omics data with a no…☆35Updated 2 years ago
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics☆13Updated 2 years ago
- ☆15Updated 5 months ago
- SPECTRA: Spectral framework for evaluation of biomedical AI models☆41Updated 9 months ago
- Sniffing out new drugs☆23Updated 2 years ago
- From Proteins to Ligands: Decoding Deep Learning Methods for Binding Affinity Prediction☆18Updated last year
- Automated QSAR based on multiple small molecule descriptors☆44Updated last year
- Tutorial for "Advances in machine learning for molecules" (for Summer School for Machine Learning in Bioinformatics, https://cs.hse.ru/ss…☆21Updated 5 years ago
- A high-quality hand-curated logD7.4 dataset of 1,130 compounds☆22Updated 8 years ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆32Updated last week
- Enhancing Early Detection of Drug-Induced Liver Injury Through Predicted in vivo and in vitro Data Integration☆20Updated 4 months ago
- Antibody structure prediction☆31Updated this week
- Reaction SMILES-AA mapping via language modelling☆29Updated last year
- ☆15Updated 8 months ago
- ☆20Updated 4 years ago
- ☆14Updated 3 years ago
- Useful functions for working with small molecules☆55Updated 3 months ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆34Updated last year
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆32Updated last year
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆17Updated 3 years ago
- Code for peptide ligand design with machine learning models.☆28Updated last year
- Web cards/apps describing peptides☆30Updated 2 years ago
- Reference-free analysis of genetic architecture☆19Updated last year
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆14Updated 3 years ago
- ☆36Updated last year
- EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks☆27Updated 4 months ago
- Computational Analysis of Novel Drug Opportunities☆40Updated last month
- ☆32Updated 3 months ago