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
- Code available for the quantitative pharmacophores☆12Updated 2 years ago
- Paper for release☆11Updated 3 years ago
- ☆13Updated 3 years ago
- ☆9Updated 3 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆18Updated 2 years ago
- ☆11Updated last year
- ☆16Updated 2 years ago
- ☆8Updated 6 years ago
- Graph Neural Networks for Drug Efficacy Prediction☆11Updated 2 years ago
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- RDKit code for the JCIM article☆16Updated 11 years ago
- example demonstrating a free energy estimation starting from OFF and OpenMM☆11Updated 4 years ago
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆10Updated last year
- DSResSol: A sequence-based solubility predictor created with Dilated Squeeze Excitation Residual Networks☆10Updated last year
- ☆10Updated 6 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 2 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆17Updated last month
- PCA and normal mode analysis of proteins☆17Updated last year
- ☆9Updated 2 years ago
- Ligand binding site prediction and virtual screening☆12Updated 6 years ago
- A unified and modular interface to homology modelling software☆11Updated last year
- docking visualization with py3dmol and streamlit☆23Updated 4 years ago
- This workflow includes Quantitative Structure-Activity Relationship (QSAR) models to predict the hERG-related cardiotoxicity of chemicals…☆8Updated 2 years ago
- ☆13Updated 2 years ago
- Python API for Pharmer☆12Updated 6 years ago
- Kinome-wide structural pocket similarity☆10Updated 2 years ago
- Generative RNN for molecule de novo design☆18Updated 3 years ago
- Snippets for common computer-aided drug design tasks☆10Updated 7 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year