GCN implementation for RNA-small molecule binding prediction. (https://academic.oup.com/nar/article/48/14/7690/5870337)
☆16Nov 28, 2023Updated 2 years ago
Alternatives and similar repositories for RNAmigos
Users that are interested in RNAmigos are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆32Apr 9, 2024Updated last year
- a deep learning architecture for RNA-ligand binding sites prediction☆18Jan 21, 2024Updated 2 years ago
- Rapid structure-based virtual screening for RNA targets.☆27Mar 6, 2026Updated 2 weeks ago
- AnnapuRNA: a scoring function for predicting RNA-small molecule interactions.☆21Apr 5, 2024Updated last year
- This repository contains the code for the work on protein-ligand interaction with GNNs and XAI☆36Jan 3, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- An analysis of a new experimentally-derived nucleic acid binding chemical library☆27Jan 27, 2023Updated 3 years ago
- Grid Generation☆11Mar 7, 2024Updated 2 years ago
- Analysis and design of protein-protein or protein-peptide interactions based on atlas database.☆15Sep 27, 2022Updated 3 years ago
- Source code for "A universal framework for accurate and efficient geometric deep learning of molecular systems" (Nature Scientific Report…☆72Nov 12, 2025Updated 4 months ago
- to assess structural quality of RNA using 3D CNN☆14Aug 17, 2018Updated 7 years ago
- ☆16Sep 6, 2022Updated 3 years ago
- Toolkit for structure-based deep learning on RNA.☆46Feb 9, 2026Updated last month
- Contrastive learning of protein representations with graph neural networks for structural and functional annotations☆11Apr 23, 2023Updated 2 years ago
- Predict binding affinity of ligand-protein complexes using Graph Neural Networks. The model is implemented using PyTorch Geometric and ba…☆11Nov 26, 2022Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- RNA Multiple Sequence Alignment☆50Jul 20, 2023Updated 2 years ago
- pLM-informed E(3) equivariant deep graph neural networks for protein-nucleic acid binding site prediction☆23Apr 24, 2024Updated last year
- [Nat. Commun.] Code for paper 'Attention-based multi-label neural networks for integrated prediction and interpretation of twelve widely …☆33Oct 23, 2021Updated 4 years ago
- few-shot compound activity regression☆13Aug 19, 2024Updated last year
- ☆65Oct 11, 2022Updated 3 years ago
- Three-dimensional force fields fingerprints☆27Jan 11, 2022Updated 4 years ago
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆49Mar 20, 2024Updated 2 years ago
- ☆37Mar 21, 2021Updated 5 years ago
- Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.☆10Feb 14, 2023Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks☆27Aug 6, 2025Updated 7 months ago
- ☆20Jul 14, 2024Updated last year
- neuropeptide prediction☆13Sep 2, 2022Updated 3 years ago
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆18Jun 27, 2023Updated 2 years ago
- Extract ligand binding sites from PDB. Match the binding sites to de novo scaffolds.☆12Dec 29, 2020Updated 5 years ago
- ☆57Feb 15, 2024Updated 2 years ago
- Adaptive and Reliable Classification: efficient conformity scores for multi-class classification problems☆33Jan 27, 2023Updated 3 years ago
- Awesome AI-aided Drug Discovery☆35Jun 6, 2024Updated last year
- ☆17Jul 21, 2023Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Optimization of binding affinities in chemical space for drug discovery☆36Jan 31, 2023Updated 3 years ago
- NRPSpredictor2 is a program to predict the specificity of bacterial and fungal adenylation domains.☆11Oct 7, 2019Updated 6 years ago
- Software for detecting non-covalent interactions formed within complexes of nucleic acids with ligands.☆30Jun 3, 2022Updated 3 years ago
- LncADeep is an ab initio lncRNA identification and functional annotation tool based on deep learning☆29Jun 4, 2018Updated 7 years ago
- ☆39Jun 10, 2023Updated 2 years ago
- ☆16Jun 1, 2024Updated last year
- The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.☆31Mar 14, 2026Updated last week