asadahmedtech / DEELIGLinks
Binding Affinity Prediction using Deep learning models
☆12Updated 4 years ago
Alternatives and similar repositories for DEELIG
Users that are interested in DEELIG are comparing it to the libraries listed below
Sorting:
- ☆14Updated 3 years ago
- Web cards/apps describing peptides☆30Updated 2 years ago
- PCA and normal mode analysis of proteins☆19Updated last year
- Code available for the quantitative pharmacophores☆12Updated 3 years ago
- Ligand binding site prediction and virtual screening☆12Updated 7 years ago
- ☆14Updated 2 years ago
- ☆13Updated 4 years ago
- Paper for release☆11Updated 4 years ago
- ☆12Updated last year
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆28Updated 8 months ago
- Generative RNN for molecule de novo design☆20Updated 3 years ago
- ☆17Updated 2 years ago
- ☆10Updated 4 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆18Updated 2 years ago
- Data repository for pkasolver☆13Updated 3 years ago
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆10Updated last year
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆28Updated 3 years ago
- KDS software for Kinase Drug Selectivity☆11Updated 2 years ago
- A parallel molecular docking program based on AutoDock Vina☆19Updated 2 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 6 months ago
- RDKit code for the JCIM article☆17Updated 12 years ago
- ☆21Updated 6 months ago
- A high-quality hand-curated logD7.4 dataset of 1,130 compounds☆22Updated 8 years ago
- 🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…☆11Updated 7 years ago
- Computational Analysis of Novel Drug Opportunities☆40Updated last month
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆11Updated 3 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated 2 years ago
- DSResSol: A sequence-based solubility predictor created with Dilated Squeeze Excitation Residual Networks☆10Updated last year
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆21Updated 3 years ago
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Updated 3 years ago