Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
☆64Aug 5, 2026Updated 2 months ago
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:
- ☆52Jun 15, 2026Updated 4 months ago
- mdml: Deep Learning for Molecular Simulations☆55May 17, 2025Updated last year
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆192Oct 7, 2025Updated last year
- Automated Adaptive Absolute alchemical Free Energy calculator☆132Oct 5, 2026Updated last week
- Rapid Generation of Rare Event Pathways Using Direction Guided Adaptive Sampling: From Ligand Unbinding to Protein (Un)Folding☆39Sep 16, 2026Updated 3 weeks ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆19Apr 16, 2025Updated last year
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆94Sep 28, 2026Updated 2 weeks ago
- ☆74Feb 13, 2026Updated 8 months ago
- gpu implementation mopac☆16Oct 6, 2026Updated last week
- Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensembles☆22May 16, 2026Updated 4 months ago
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆168May 9, 2026Updated 5 months ago
- ☆23Sep 19, 2025Updated last year
- Weighted Ensemble Data Analysis and Plotting☆27Jul 17, 2026Updated 2 months ago
- ☆11Oct 25, 2023Updated 2 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.☆268Nov 5, 2025Updated 11 months ago
- ☆131Jul 18, 2025Updated last year
- A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes☆55Sep 15, 2026Updated last month
- Plugin for folding sequences directly in PyMOL☆29Aug 5, 2025Updated last year
- ML-optimized library design with improved fitness and diversity for protein engineering☆37Nov 5, 2025Updated 11 months ago
- Toolkit for alphafold3 input and output files☆110Sep 29, 2026Updated 2 weeks ago
- ☆19Apr 13, 2026Updated 6 months ago
- Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning☆889Updated this week
- ☆100Sep 28, 2026Updated 2 weeks 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.
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆177Sep 7, 2026Updated last month
- ☆19Aug 18, 2026Updated last month
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆181Jun 25, 2026Updated 3 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆147Feb 1, 2026Updated 8 months ago
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- Bayesian Optimization for protein design and mining☆28Jul 2, 2026Updated 3 months ago
- OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method☆174Aug 18, 2026Updated last month
- P2DFlow: A Protein Ensemble Generative Model with SE(3) Flow Matching☆46May 22, 2025Updated last year
- DyNoPy☆10Sep 5, 2024Updated 2 years 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.
- Plugin for folding sequences directly in PyMOL☆119Aug 4, 2025Updated last year
- Lightweight induced fit docking☆22May 22, 2023Updated 3 years ago
- A universal ML model to predict molecular dynamics trajectories with long time steps☆57Sep 23, 2026Updated 3 weeks ago
- Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)☆250Sep 1, 2026Updated last month
- Open-source tool to generate 3D-ready small molecules for virtual screening☆86Oct 4, 2026Updated last week
- Python rich client for visual protein Sequence to Structure Analysis☆22Mar 31, 2026Updated 6 months ago
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆547Mar 22, 2026Updated 6 months ago