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
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆28Updated 9 months ago
- Prediction of Protein-Small molecule binding affinities☆19Updated 3 months ago
- Spatiotemporal identification of druggable binding sites using deep learning☆22Updated 4 years ago
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Updated 4 years ago
- PCA and normal mode analysis of proteins☆20Updated last year
- ☆30Updated 7 months ago
- ☆14Updated 3 years ago
- Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking☆13Updated 4 years ago
- Structural space exploration of AlphaFold DB☆12Updated 4 years ago
- Computational Analysis of Novel Drug Opportunities☆40Updated 2 months ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Updated 5 years ago
- KDS software for Kinase Drug Selectivity☆11Updated 2 years ago
- ☆13Updated 6 years ago
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Updated 3 years ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆28Updated 3 years ago
- Protein-protein binding affinity benchmark☆16Updated 10 months ago
- ☆12Updated last year
- ☆13Updated 4 years ago
- EvolveX, a de novo antibody computational design pipeline.☆12Updated 3 months ago
- p-IgGen: A Generative Paired Antibody Language Model☆13Updated 8 months ago
- Protein-Ligand Interaction Fingerprints☆21Updated 5 years ago
- Ligand binding site prediction and virtual screening☆12Updated 7 years ago
- A Deep Learning Framework for Allosteric Site Prediction☆15Updated 7 months ago
- Paper for release☆11Updated 4 years ago
- some tools for working with protein (PDB) files in tensorflow☆11Updated 6 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
- HamidHadipour / Deep-clustering-of-small-molecules-at-large-scale-via-variational-autoencoder-embedding-and-K-means☆17Updated last year
- Curated list on Deep Transformers Applications on Biology and Chemistry☆18Updated 2 years ago