Unlocking Generative Diversity in Co-Folding Models via Training-Free Conditioning Perturbation
☆11Oct 14, 2026Updated last week
Alternatives and similar repositories for boltz-perturb
Users that are interested in boltz-perturb are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆16Aug 8, 2025Updated last year
- galaxydock_dl for public☆11Dec 22, 2024Updated last year
- The scripts for Gen-COMPAS framework☆81Sep 20, 2026Updated last month
- Predicting water moelcule placements on protein surfaces using flow matching conditioned on learned protein structure embeddings.☆16Sep 17, 2026Updated last month
- Benchmarking active learning protocols for ligand binding affinity prediction☆13Feb 4, 2024Updated 2 years 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.
- Associated code/pipeline for the publication "AI-assisted protein design to rapidly convert antibody sequences to intrabodies targeting d…☆17Feb 18, 2025Updated last year
- ☆13Jul 14, 2025Updated last year
- Multiscale Simulation Tool for Backmapping☆22Mar 13, 2026Updated 7 months ago
- A tutorial for Streamlined Alchemical Free Energy Perturbations with NAMD☆17Apr 3, 2026Updated 6 months ago
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson.☆19Jun 26, 2026Updated 3 months ago
- Finds cryptic binding pockets that are invisible in a single static structure. Generates a conformational ensemble, detects pockets in ev…☆104Sep 17, 2026Updated last month
- ☆18Jul 30, 2024Updated 2 years ago
- A Unified 3D Generative Model for Synthesizable Structure-Based Drug Design.☆98Oct 10, 2026Updated last week
- ☆18Feb 2, 2026Updated 8 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.
- ☆15May 15, 2026Updated 5 months ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- ☆22Oct 3, 2026Updated 2 weeks ago
- Pharmacon: A Molecular Dynamics Analysis Toolkit☆25Oct 5, 2026Updated 2 weeks ago
- Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints (ECFPs)☆10Feb 13, 2025Updated last year
- A library to align rigid molecules and clusters☆13Updated this week
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆37Sep 1, 2026Updated last month
- ShEPhERD-2 code: Interaction Profiles as a Universal Language for Generative Molecular Design☆61Sep 16, 2026Updated last month
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆43Oct 2, 2026Updated 2 weeks ago
- 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.
- ☆91Jul 19, 2023Updated 3 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26May 22, 2025Updated last year
- LamNet: an Alchemical-Path-Aware Graph Neural Network to Accelerate Binding Free Energy Calculation☆14Jul 10, 2025Updated last year
- ☆12Oct 14, 2023Updated 3 years ago
- ☆40Feb 20, 2026Updated 8 months ago
- ☆14May 15, 2024Updated 2 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Oct 14, 2026Updated last week
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- Python module for identification of conserved water molecules from molecular dynamics trajectories.☆15Oct 14, 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.
- A python library for replica exchange transition interface sampling with infinite swaps☆16May 26, 2026Updated 4 months ago
- ☆17Jan 10, 2024Updated 2 years ago
- This repository contained python code used to do organic free energy calculation. Reference: http://www.bevanlab.biochem.vt.edu/Pages/Per…☆11Aug 2, 2018Updated 8 years ago
- ☆20Oct 13, 2026Updated last week
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆31Jun 30, 2025Updated last year
- Open-source SBDD toolkit for standardized import of binding poses, restrained OpenMM minimization, pose QC, protein-ligand interaction an…☆23Sep 11, 2026Updated last month
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 4 years ago