☆51Jun 15, 2026Updated last month
Alternatives and similar repositories for ermsfkit
Users that are interested in ermsfkit are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Rapid Generation of Rare Event Pathways Using Direction Guided Adaptive Sampling: From Ligand Unbinding to Protein (Un)Folding☆38Aug 2, 2026Updated last week
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆63Updated this week
- ☆46Dec 30, 2025Updated 7 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆139Feb 1, 2026Updated 6 months ago
- ☆13May 24, 2026Updated 2 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆23Sep 19, 2025Updated 10 months ago
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆169May 9, 2026Updated 3 months ago
- RMSX and Flipbook Package: Time series RMSF combing the features of RMSD and RMSF☆37Jul 20, 2026Updated 3 weeks ago
- MAGPIE☆17May 5, 2024Updated 2 years ago
- mdml: Deep Learning for Molecular Simulations☆55May 17, 2025Updated last year
- P2DFlow: A Protein Ensemble Generative Model with SE(3) Flow Matching☆46May 22, 2025Updated last year
- ☆18Jan 15, 2026Updated 6 months ago
- FeNNol Pretrained Models Collection☆21Dec 17, 2025Updated 7 months ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆23Oct 2, 2024Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆19Apr 13, 2026Updated 3 months ago
- Protein design and sculpting using Rosetta and Deep learning methods (RFDiff and Alphafold2)☆69Jun 30, 2026Updated last month
- Sidechain conditioning and modeling for full-atom protein sequence design☆145Nov 11, 2025Updated 9 months ago
- Fast protein backbone flexibility prediction model☆36Jan 4, 2026Updated 7 months ago
- Deconvolving mutation effects on protein stability and function with disentangled protein language models☆18May 15, 2026Updated 2 months ago
- ☆15Sep 5, 2025Updated 11 months ago
- Automated Adaptive Absolute alchemical Free Energy calculator☆123Jul 28, 2026Updated 2 weeks ago
- ☆48Jul 17, 2026Updated 3 weeks ago
- ☆86May 18, 2026Updated 2 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.
- A toolbox for Alphafold-related workflows☆22Jul 30, 2026Updated last week
- ☆71Jul 7, 2026Updated last month
- PocketMaster is a flexible and automated tool for analyzing, clustering, and visualizing protein binding sites. It allows you to quickly …☆19Feb 22, 2026Updated 5 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆177Jun 25, 2026Updated last month
- Quantum-mechanical molecular representations☆31Jun 19, 2026Updated last month
- Neural Iterative Selection-Expansion using LigandMPNN/LASErMPNN and Boltz-2x☆64Jul 14, 2026Updated 3 weeks ago
- Python package to run molecular dynamics simulation of a protein-ligand complex in a single line of code.☆185Jul 8, 2026Updated last month
- 👑 A lightweight molecular dynamics pipeline for running protein simulations on portable hardware☆56Mar 23, 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
- 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.
- Toolkit for alphafold3 input and output files☆106Jul 31, 2026Updated last week
- Ligand-Protein Interaction Mapping☆81Updated this week
- Code for running BinderFlow☆66Jun 22, 2026Updated last month
- ☆90Jul 19, 2023Updated 3 years ago
- A modular and user-friendly Python framework for protein and ligand engineering workflows on SLURM clusters☆103Jul 28, 2026Updated 2 weeks ago
- NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z☆50Nov 4, 2025Updated 9 months ago
- ☆18May 1, 2026Updated 3 months ago