cgoliver / RNAmigosLinks
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
Sorting:
- ☆33Updated last year
- Fragment-based Molecular Expansion☆24Updated last year
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆44Updated last year
- HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer☆26Updated last year
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆44Updated 2 years ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆40Updated 2 weeks ago
- ☆38Updated 4 years ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- ☆38Updated last year
- ☆21Updated 2 years ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆42Updated 4 months ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆70Updated 7 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated 2 weeks ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆16Updated 10 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 5 months ago
- DLPacker☆31Updated last year
- ☆15Updated last year
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- Docking Tool Benchmarking Workflow☆24Updated last year
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 2 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 7 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆40Updated last year
- Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2☆63Updated 3 weeks ago
- Score-based 3D molecule generation with neural fields - NeurIPS 2024☆27Updated 10 months ago
- ☆77Updated last year
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆79Updated last week
- ☆51Updated 5 months ago
- A convolutional neural network model to predict spatial charge map (SCM) score, a molecular dynamics simulation-based model to predict an…☆28Updated 3 years ago