Code accompanying our blog post on a stronger docking baseline for Alpha Fold 3 docking
☆23May 14, 2026Updated 2 months ago
Alternatives and similar repositories for strong-docking-baseline
Users that are interested in strong-docking-baseline are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Scientific Computing from Scratch☆13Jun 30, 2026Updated 3 weeks ago
- ☆18Apr 24, 2025Updated last year
- ☆21Mar 20, 2022Updated 4 years ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆65May 21, 2025Updated last year
- Datasets for P2Rank project. https://github.com/rdk/p2rank☆31Nov 8, 2024Updated last year
- 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.
- Resources for the BioML Challenge 2024: Bits to Binders☆20Aug 24, 2024Updated last year
- A refined evaluation pipeline for 3D molecular generative models trained on GEOM-Drugs.☆16Sep 10, 2025Updated 10 months ago
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆18Apr 7, 2025Updated last year
- gpu implementation mopac☆16Oct 11, 2025Updated 9 months ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 3 years ago
- cryo_fit1 source codes, test files, live at .../phenix-xxxx/modules☆10Mar 25, 2022Updated 4 years ago
- MCP server for Rosetta/PyRosetta and Biotite: give your AI coding agent expert-level knowledge of protein modeling and design - ask naive…☆17Apr 5, 2026Updated 3 months ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆41Jul 6, 2021Updated 5 years ago
- ☆29Dec 1, 2020Updated 5 years ago
- 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.
- Fold Conditioned protein design pipeline based on AF2Multimer Hallucination☆54Jun 22, 2026Updated last month
- A conditionally adapted protein language model for the generation of enzymes☆24Nov 26, 2024Updated last year
- GOProteinGNN: Leveraging Protein Knowledge Graphs for Protein Representation Learning☆13May 13, 2025Updated last year
- Modelling protein conformational landscape with Alphafold☆61Aug 29, 2025Updated 11 months ago
- In silico directed evolution of peptide binders with AlphaFold☆274Apr 24, 2026Updated 3 months ago
- python API for rowan☆20Updated this week
- The official repository of Uni-pKa☆112Apr 1, 2025Updated last year
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆332Oct 6, 2025Updated 9 months ago
- Automated Adaptive Absolute alchemical Free Energy calculator☆123Jul 21, 2026Updated last week
- 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.
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆55Jul 22, 2025Updated last year
- Discriminator for Model Docking☆11Dec 20, 2024Updated last year
- A Tutorial for quasi Markov State Model(qMSM) developed by Huang Group, Dept of Chemistry at UW-Madison☆19Jun 6, 2023Updated 3 years ago
- ☆14Oct 16, 2022Updated 3 years ago
- Official repository for DiffPepBuilder and DiffPepDock tools☆127Oct 24, 2025Updated 9 months ago
- Files and utilities for protein-emoji☆26Nov 4, 2022Updated 3 years ago
- ☆13May 24, 2026Updated 2 months ago
- Community-maintained Boltz fork with bug fixes, broader compatibility, and CI.☆61Jul 14, 2026Updated 2 weeks ago
- Python client for TeraChem Cloud☆13Jul 16, 2026Updated 2 weeks ago
- 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.
- p-IgGen: A Generative Paired Antibody Language Model☆13May 6, 2025Updated last year
- ☆39Aug 28, 2023Updated 2 years ago
- Re-scoring a set of docked ligands with off-the-shelf algorithms to assess utility in virtual screening☆11Oct 13, 2021Updated 4 years ago
- The Nutmeg machine learning models☆11Jan 23, 2025Updated last year
- TSCoDe is a systematical conformational embedder for small molecules. It helps computational chemists build transition states and binding…☆14Jan 6, 2025Updated last year
- MOPAC wrapper providing the PM6-ML correction☆24Mar 23, 2026Updated 4 months ago
- MayaChemTools is a growing collection of Perl and Python scripts, modules, and classes to support a variety of day-to-day computational d…☆10Sep 1, 2020Updated 5 years ago