Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
☆62Apr 6, 2026Updated last month
Alternatives and similar repositories for af2rave
Users that are interested in af2rave are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- mdml: Deep Learning for Molecular Simulations☆55May 17, 2025Updated last year
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆185Oct 7, 2025Updated 7 months ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated last year
- Weighted Ensemble Data Analysis and Plotting☆27Dec 11, 2025Updated 5 months ago
- ☆74Feb 13, 2026Updated 3 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆122Jul 18, 2025Updated 10 months ago
- Neural Iterative Selection-Expansion using LigandMPNN/LASErMPNN and Boltz-2x☆33May 11, 2026Updated 2 weeks ago
- ☆11Oct 25, 2023Updated 2 years ago
- Toolkit for alphafold3 input and output files☆103Updated this week
- A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes☆52Oct 27, 2025Updated 6 months ago
- Automated Adaptive Absolute alchemical Free Energy calculator☆118May 1, 2026Updated 3 weeks ago
- Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning☆812May 14, 2026Updated last week
- ML-optimized library design with improved fitness and diversity for protein engineering☆37Nov 5, 2025Updated 6 months ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆171May 18, 2026Updated last week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Plugin for folding sequences directly in PyMOL☆29Aug 5, 2025Updated 9 months ago
- ☆89Mar 31, 2026Updated last month
- Open-source tool to generate 3D-ready small molecules for virtual screening☆82Nov 18, 2025Updated 6 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆174Feb 6, 2026Updated 3 months ago
- Sidechain conditioning and modeling for full-atom protein sequence design☆138Nov 11, 2025Updated 6 months ago
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method☆161Updated this week
- Geometric Algebra Flow Matching (GAFL) for Protein Backbone Generation☆19May 5, 2026Updated 3 weeks ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆137Sep 3, 2025Updated 8 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.
- PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.☆248Nov 5, 2025Updated 6 months ago
- Rapid Generation of Rare Event Pathways Using Direction Guided Adaptive Sampling: From Ligand Unbinding to Protein (Un)Folding☆38Nov 25, 2025Updated 6 months ago
- P2DFlow: A Protein Ensemble Generative Model with SE(3) Flow Matching☆44May 22, 2025Updated last year
- Lightweight induced fit docking☆22May 22, 2023Updated 3 years ago
- ☆15Apr 13, 2026Updated last month
- MOPAC wrapper providing the PM6-ML correction☆22Mar 23, 2026Updated 2 months ago
- Plugin for folding sequences directly in PyMOL☆118Aug 4, 2025Updated 9 months ago
- DyNoPy☆11Sep 5, 2024Updated last year
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆155May 9, 2026Updated 2 weeks ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Diffusion model based protein-ligand flexible docking method☆117Oct 30, 2024Updated last year
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆89Oct 6, 2025Updated 7 months ago
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆527Mar 22, 2026Updated 2 months ago
- ☆16Jan 13, 2026Updated 4 months ago
- Generative modeling of molecular dynamics trajectories☆216Mar 22, 2026Updated 2 months ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆76Mar 27, 2025Updated last year
- Data set of protein-ligand complexes with reliable experimental structures and affinities☆45Oct 2, 2025Updated 7 months ago