A toolbox for Alphafold-related workflows
☆23Sep 7, 2026Updated 3 weeks ago
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☆23Apr 15, 2026Updated 5 months ago
- Features Based Conformational Clustering of MD trajectories. See details at:☆11Aug 1, 2026Updated 2 months ago
- Fast, accurate construction of multiple sequence alignments from protein language embeddings☆20Jul 22, 2026Updated 2 months ago
- ☆19Apr 13, 2026Updated 5 months ago
- Cheminformatic extension for SQLAlchemy☆18Aug 9, 2026Updated last month
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆52Jun 15, 2026Updated 3 months ago
- Machine learning workflows for the OpenADMET project☆59Updated this week
- MD_quick_plot helps you plot MD simulation data figures using structural and trajectory files. Compatible formats include GROMACS, AMBER,…☆25Jul 26, 2026Updated 2 months ago
- PDB-CAT aims to automatically categorize the mmCIF PDB structures based on the type of interaction between atoms in the protein and the l…☆16Jan 21, 2026Updated 8 months ago
- ☆15Sep 5, 2025Updated last year
- A Molecular Benchmark for Disease and Target Based Machine Learning☆26Feb 9, 2022Updated 4 years ago
- Software for automated molecular dynamics exploration☆134Updated this week
- ☆13May 24, 2026Updated 4 months ago
- A comprehensive resource of binding sites on human surface proteins with binder seeds☆16Feb 26, 2025Updated 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.
- ☆26Dec 6, 2025Updated 9 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☆15Sep 22, 2026Updated last week
- Official Implementation of CompassDock☆21Feb 13, 2026Updated 7 months ago
- GUI for Boltz☆36Jun 11, 2025Updated last year
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆168May 9, 2026Updated 4 months ago
- GNEprop is a graph neural network-based model to predict antibacterial activity from molecular structures in virtual screening settings.☆49Apr 8, 2026Updated 5 months ago
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆23Feb 20, 2025Updated last year
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- 👑 A lightweight molecular dynamics pipeline for running protein simulations on portable hardware☆67Mar 23, 2026Updated 6 months ago
- Toolkit for large scale ADMET modelling☆30Updated this week
- Automated, modular pipeline for de novo protein binder design on SLURM clusters, with the BFmonitor dashboard☆66Sep 23, 2026Updated last week
- ☆17Apr 22, 2025Updated last year
- Offical repository for the paper "Llamol: a dynamic multi-conditional generative transformer for de novo molecular design" (https://doi.o…☆31Jun 25, 2024Updated 2 years ago
- A Unified GPU-Accelerated Platform for High-Throughput Structure-Based, Ligand-Based, and Synergistic Hybrid Virtual Screening☆31Feb 24, 2026Updated 7 months ago
- A modular and user-friendly Python framework for protein and ligand engineering workflows on SLURM clusters☆109Updated this week
- Machine learning accelerated docking screens☆70Jan 20, 2025Updated last year
- gpu implementation mopac☆16Sep 26, 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.
- ☆19Aug 18, 2026Updated last month
- NPGPT: Natural Product-Like Compound Generation with GPT-based Chemical Language Models☆15Sep 5, 2025Updated last year
- Notebooks demonstrating how to do simple tasks related to free energy calculations.☆70Updated this week
- ☆78Aug 19, 2026Updated last month
- ☆17May 22, 2025Updated last year
- Deconvolving mutation effects on protein stability and function with disentangled protein language models☆18May 15, 2026Updated 4 months ago
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year