595693085 / ProteinDescriptorLinks
a protein descriptor for site prediction
☆16Updated 6 years ago
Alternatives and similar repositories for ProteinDescriptor
Users that are interested in ProteinDescriptor are comparing it to the libraries listed below
Sorting:
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆21Updated 3 years ago
- ☆15Updated 5 years ago
- KDS software for Kinase Drug Selectivity☆11Updated 2 years ago
- Web cards/apps describing peptides☆30Updated 2 years ago
- Structural space exploration of AlphaFold DB☆12Updated 4 years ago
- ☆17Updated 3 years ago
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆28Updated 8 months ago
- EvolveX, a de novo antibody computational design pipeline.☆12Updated 2 months ago
- Prediction of Protein-Small molecule binding affinities☆18Updated 2 months ago
- De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors☆20Updated last year
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Updated 4 years ago
- ☆13Updated 5 years ago
- ☆13Updated 4 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Updated 5 years ago
- Implements the blood brain barrier score described in: J. Med. Chem. 2019, 62, 21, 9824-9836 (https://doi.org/10.1021/acs.jmedchem.9b0122…☆14Updated 5 years ago
- Protein-protein binding affinity benchmark☆16Updated 9 months ago
- Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking☆13Updated 4 years ago
- ESM-driven Pocket Cross Similarity☆15Updated 4 months ago
- Mol2vec notebooks for use with Binder service☆29Updated 7 years ago
- Graph Neural Networks for Drug Efficacy Prediction☆11Updated 3 years ago
- PCA and normal mode analysis of proteins☆19Updated last year
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆16Updated last year
- Protein common interface databases☆10Updated 6 years ago
- Matrix factorization and deep learning for molecular property prediction☆13Updated 6 years ago
- An Interface-Predicting Language Model for Designing Peptide-Guided Protein Degraders☆16Updated last year
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆28Updated 3 years ago
- MEGADOCK on Google Colaboratory☆20Updated 2 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆11Updated 3 years ago
- ☆30Updated 6 months ago
- DSResSol: A sequence-based solubility predictor created with Dilated Squeeze Excitation Residual Networks☆10Updated last year