Deep Learning Model for Conformational Transition
☆15Aug 18, 2026Updated last month
Alternatives and similar repositories for ICoN
Users that are interested in ICoN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks☆10Jun 13, 2022Updated 4 years ago
- Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks☆33Jun 9, 2024Updated 2 years ago
- ☆14Feb 28, 2022Updated 4 years ago
- ☆13Feb 20, 2024Updated 2 years ago
- ☆16Oct 27, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- DyNoPy☆10Sep 5, 2024Updated 2 years ago
- Code for Neural Relational Inference with Efficient Message Passing Mechanisms (AAAI 2021).☆21May 9, 2021Updated 5 years ago
- [Neurips 2025] Official Implementation of ConfRover models☆32Feb 3, 2026Updated 8 months ago
- ☆27Mar 9, 2026Updated 7 months ago
- Neural relational inference for molecular dynamics simulations☆60May 30, 2023Updated 3 years ago
- ☆20Oct 3, 2024Updated 2 years ago
- P2DFlow: A Protein Ensemble Generative Model with SE(3) Flow Matching☆46May 22, 2025Updated last year
- Pocket dynamics analysis tool☆18Sep 9, 2026Updated last month
- Codebase of the paper "Aligning Protein Conformation Ensemble Generation with Physical Feedback" (ICML 2025)☆18Jul 6, 2025Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- code for SeqDance/ESMDance, biophysics-informed protein language models☆66Jan 28, 2026Updated 8 months ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆20Nov 28, 2023Updated 2 years ago
- ☆16Aug 8, 2025Updated last year
- Code for ApoDock☆21Apr 7, 2025Updated last year
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆17Apr 7, 2025Updated last year
- Use AutoDock for Ligand-based Virtual Screening☆23Aug 18, 2024Updated 2 years ago
- Research repository to the publication: Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molec…☆14Apr 2, 2024Updated 2 years ago
- Weighted Ensemble Data Analysis and Plotting☆27Jul 17, 2026Updated 3 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Geometric super-resolution for molecular geometries☆43Jun 15, 2022Updated 4 years ago
- protein embedding project☆12May 3, 2018Updated 8 years ago
- ☆11Oct 25, 2023Updated 2 years ago
- Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics☆94Jan 27, 2025Updated last year
- This is the official implementation of the paper "A Deep Learning Approach for Rational Ligand Generation with Property Control via React…☆21Sep 28, 2024Updated 2 years ago
- PocketDTA☆42Nov 21, 2025Updated 10 months ago
- ☆12Mar 18, 2024Updated 2 years ago
- ☆32Oct 29, 2023Updated 2 years ago
- Clusters protein chains based on CA distance difference☆19Oct 9, 2026Updated last week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆15May 29, 2024Updated 2 years ago
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆15Jul 14, 2026Updated 3 months ago
- Random Acceleration Molecular Dynamics in GROMACS☆46Sep 7, 2026Updated last month
- An extension to the MDAnalysis library providing support for dealing with structural ensembles. There is currently support for calculatin…☆16Jul 20, 2018Updated 8 years ago
- ZDOCK predictions and PDB structures in C++ and Python☆15Jul 22, 2026Updated 2 months ago
- ☆35Jun 29, 2024Updated 2 years ago
- Protein-peptide docking with ESMFold language model☆16May 30, 2026Updated 4 months ago