AI-powered ab initio biomolecular dynamics simulation
☆573Feb 18, 2025Updated last year
Alternatives and similar repositories for AI2BMD
Users that are interested in AI2BMD are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆810May 18, 2026Updated 3 weeks ago
- Toward High-Accuracy Open-Source Biomolecular Structure Prediction.☆1,934May 6, 2026Updated last month
- Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning☆824May 28, 2026Updated 2 weeks ago
- Public RFDiffusionAA repo☆482Jul 9, 2024Updated last year
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆528Mar 22, 2026Updated 2 months ago
- 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.
- Training neural network potentials☆476Mar 31, 2026Updated 2 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆174Feb 6, 2026Updated 4 months ago
- Diffusion-based all-atom protein generative model.☆236Aug 27, 2025Updated 9 months ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆330Oct 6, 2025Updated 8 months ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆296Dec 23, 2025Updated 5 months ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆250Sep 29, 2025Updated 8 months ago
- ☆581Feb 6, 2025Updated last year
- [ICLR 2024] Official Implementation of Long-Short-Range Message-Passing☆19Sep 7, 2025Updated 9 months ago
- Diffusion model based protein-ligand flexible docking method☆117Oct 30, 2024Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Chai-1, SOTA model for biomolecular structure prediction☆1,946Apr 11, 2026Updated 2 months ago
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆187Oct 7, 2025Updated 8 months ago
- Generative modeling of molecular dynamics trajectories☆218Mar 22, 2026Updated 2 months ago
- Implementation for SE(3) diffusion model with application to protein backbone generation☆421Jul 3, 2023Updated 2 years ago
- Protein-ligand structure prediction☆240Jul 31, 2025Updated 10 months ago
- Official repository for the Boltz biomolecular interaction models☆4,021May 29, 2026Updated last week
- User friendly and accurate binder design pipeline☆1,123May 11, 2026Updated last month
- Official Repository for the Uni-Mol Series Methods☆1,113May 29, 2025Updated last year
- Saprot: Protein Language Model with Structural Alphabet (AA+3Di)☆604Mar 8, 2026Updated 3 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆85Apr 21, 2026Updated last month
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆400Feb 26, 2026Updated 3 months ago
- Joint sequence and structure generation with RoseTTAFold sequence space diffusion☆333Oct 28, 2024Updated last year
- HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles☆74Jul 2, 2025Updated 11 months ago
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆403Nov 16, 2023Updated 2 years ago
- ☆119Jan 3, 2026Updated 5 months ago
- ☆503Mar 5, 2026Updated 3 months ago
- Making Protein Design accessible to all via Google Colab!☆915Apr 6, 2026Updated 2 months ago
- Official repository for DiffPepBuilder and DiffPepDock tools☆128Oct 24, 2025Updated 7 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Sidechain conditioning and modeling for full-atom protein sequence design☆139Nov 11, 2025Updated 7 months ago
- A Euclidean diffusion model for structure-based drug design.☆508Jun 25, 2025Updated 11 months ago
- Code for the ProteinMPNN paper☆1,751Aug 14, 2024Updated last year
- Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics☆91Jan 27, 2025Updated last year
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆709Apr 21, 2026Updated last month
- Plausibility checks for generated molecule poses.☆381Mar 7, 2026Updated 3 months ago
- Proteina is a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and rel…☆264Jul 24, 2025Updated 10 months ago