A toolbox for Alphafold-related workflows
☆22Jul 30, 2026Updated last week
Alternatives and similar repositories for af_pipeline
Users that are interested in af_pipeline are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Reproducible cleaning and standardization of SMILES-based chemical datasets☆20Apr 15, 2026Updated 3 months ago
- Features Based Conformational Clustering of MD trajectories. See details at:☆11Updated this week
- Fast, accurate construction of multiple sequence alignments from protein language embeddings☆19Jul 22, 2026Updated 2 weeks ago
- ☆19Apr 13, 2026Updated 3 months ago
- Cheminformatic extension for SQLAlchemy☆18Updated this week
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆51Jun 15, 2026Updated last month
- Machine learning workflows for the OpenADMET project☆55Updated this week
- MD_quick_plot helps you plot MD simulation data figures using structural and trajectory files. Compatible formats include GROMACS, AMBER,…☆24Jul 26, 2026Updated last week
- PDB-CAT aims to automatically categorize the mmCIF PDB structures based on the type of interaction between atoms in the protein and the l…☆15Jan 21, 2026Updated 6 months ago
- ☆15Sep 5, 2025Updated 11 months ago
- A Molecular Benchmark for Disease and Target Based Machine Learning☆25Feb 9, 2022Updated 4 years ago
- Software for automated molecular dynamics studies☆117Updated this week
- ☆13May 24, 2026Updated 2 months ago
- A comprehensive resource of binding sites on human surface proteins with binder seeds☆15Feb 26, 2025Updated last year
- 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.
- ☆26Dec 6, 2025Updated 8 months ago
- Google Colaboratory Notebooks for Computational Biochemistry☆21Jun 15, 2025Updated last year
- Pipeline converting PDB files to docking-ready PDBQT format☆22Apr 23, 2025Updated last year
- Software package for spin dynamics☆14Jul 30, 2026Updated last week
- GUI for Boltz☆35Jun 11, 2025Updated last year
- Official Implementation of CompassDock☆21Feb 13, 2026Updated 5 months ago
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆169May 9, 2026Updated 2 months ago
- Learn fundamentals of scientific computing for biochemistry using Jupyter notebooks in Python☆17Dec 2, 2025Updated 8 months ago
- GNEprop is a graph neural network-based model to predict antibacterial activity from molecular structures in virtual screening settings.☆45Apr 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.
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆23Feb 20, 2025Updated last year
- 👑 A lightweight molecular dynamics pipeline for running protein simulations on portable hardware☆56Mar 23, 2026Updated 4 months ago
- Toolkit for large scale ADMET modelling☆29Jul 23, 2026Updated 2 weeks ago
- Code for running BinderFlow☆66Jun 22, 2026Updated last month
- ☆17Apr 22, 2025Updated last year
- A modular and user-friendly Python framework for protein and ligand engineering workflows on SLURM clusters☆102Jul 28, 2026Updated last week
- A Unified GPU-Accelerated Platform for High-Throughput Structure-Based, Ligand-Based, and Synergistic Hybrid Virtual Screening☆29Feb 24, 2026Updated 5 months ago
- Offical repository for the paper "Llamol: a dynamic multi-conditional generative transformer for de novo molecular design" (https://doi.o…☆30Jun 25, 2024Updated 2 years ago
- Machine learning accelerated docking screens☆70Jan 20, 2025Updated last year
- 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.
- gpu implementation mopac☆16Oct 11, 2025Updated 9 months ago
- ☆18Jan 15, 2026Updated 6 months ago
- NPGPT: Natural Product-Like Compound Generation with GPT-based Chemical Language Models☆15Sep 5, 2025Updated 11 months ago
- Notebooks demonstrating how to do simple tasks related to free energy calculations.☆68Jul 7, 2026Updated 3 weeks ago
- ☆71Jul 7, 2026Updated 3 weeks ago
- ☆17May 22, 2025Updated last year
- Deconvolving mutation effects on protein stability and function with disentangled protein language models☆18May 15, 2026Updated 2 months ago