cgoliver / RNAmigos
GCN implementation for RNA-small molecule binding prediction. (https://academic.oup.com/nar/article/48/14/7690/5870337)
☆16Updated last year
Alternatives and similar repositories for RNAmigos:
Users that are interested in RNAmigos are comparing it to the libraries listed below
- ☆32Updated 11 months ago
- Optimization of binding affinities in chemical space for drug discovery☆36Updated 2 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆15Updated last year
- ☆19Updated 2 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 5 months ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆29Updated 2 years ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆19Updated 3 months ago
- ☆32Updated 9 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆37Updated 10 months ago
- HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer☆20Updated 8 months ago
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆46Updated last year
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 2 years ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- Fragment-based Molecular Expansion☆20Updated last year
- Bioinformatics and Cheminformatics protocols for peptide analysis☆41Updated 2 years ago
- few-shot compound activity regression☆13Updated 7 months ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆26Updated last year
- ☆14Updated 10 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆33Updated 5 months ago
- De novo design of small molecule binding sites into proteins☆13Updated 3 years ago
- ☆16Updated 2 years ago
- Extended Connectivity Interaction Features☆30Updated 3 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆37Updated last year
- ☆23Updated 8 months ago
- ☆23Updated 2 years ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆40Updated last year
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- Benchmarking compound activity prediction for real-world drug discovery applications☆11Updated 10 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated 10 months ago
- ☆37Updated last year