Alternatives and similar repositories for bioemu

Users that are interested in bioemu are comparing it to the libraries listed below

• NVIDIA / bionemo-framework
  BioNeMo Framework: For building and adapting AI models in drug discovery at scale
  ☆466Updated this week
• bjing2016 / alphaflow
  AlphaFold Meets Flow Matching for Generating Protein Ensembles
  ☆455Updated 6 months ago
• zrqiao / NeuralPLexer
  NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
  ☆296Updated last year
• Graylab / DL4Proteins-notebooks
  Colab Notebooks covering deep learning tools for biomolecular structure prediction and design
  ☆404Updated 3 months ago
• martinpacesa / BindCraft
  User friendly and accurate binder design pipeline
  ☆595Updated 2 weeks ago
• baker-laboratory / rf_diffusion_all_atom
  Public RFDiffusionAA repo
  ☆406Updated last year
• MolecularAI / REINVENT4
  AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
  ☆515Updated last month
• microsoft / evodiff
  Generation of protein sequences and evolutionary alignments via discrete diffusion models
  ☆613Updated last month
• Zuricho / ProteinDesignLabs
  List of computational protein design research labs
  ☆184Updated 5 months ago
• RosettaCommons / RFantibody
  ☆234Updated 3 months ago
• microsoft / AI2BMD
  AI-powered ab initio biomolecular dynamics simulation
  ☆527Updated 4 months ago
• RosettaCommons / protein_generator
  Joint sequence and structure generation with RoseTTAFold sequence space diffusion
  ☆314Updated 8 months ago
• uw-ipd / RoseTTAFold2NA
  RoseTTAFold2 protein/nucleic acid complex prediction
  ☆361Updated last year
• ur-whitelab / MDCrow
  Molecular dynamics simulations with an LLM agent
  ☆196Updated 3 months ago
• RosettaCommons / rosetta
  The Rosetta Bio-macromolecule modeling package.
  ☆290Updated this week
• dauparas / LigandMPNN
  ☆403Updated 5 months ago
• PatWalters / resources_2025
  Machine Learning in Drug Discovery Resources 2024
  ☆220Updated 2 months ago
• baker-laboratory / RoseTTAFold-All-Atom
  ☆730Updated last month
• ProteinDesignLab / protpardelle
  Diffusion-based all-atom protein generative model.
  ☆202Updated 4 months ago
• rdk / p2rank
  P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
  ☆332Updated 3 weeks ago
• maabuu / posebusters
  Plausibility checks for generated molecule poses.
  ☆300Updated 2 weeks ago
• OATML-Markslab / ProteinGym
  Official repository for the ProteinGym benchmarks
  ☆330Updated last month
• ChatMol / gromacs_copilot
  Let LLM run your MDs.
  ☆215Updated 3 months ago
• ChatMol / ChatMol
  ChatMol
  ☆230Updated 4 months ago
• adaptyvbio / ProteinFlow
  Versatile computational pipeline for processing protein structure data for deep learning applications.
  ☆264Updated last year
• aqlaboratory / genie2
  Protein structure diffusion model for unconditional protein generation and motif scaffolding
  ☆164Updated last year
• bjornwallner / DockQ
  DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models
  ☆299Updated 5 months ago
• Graylab / IgFold
  Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies
  ☆365Updated last year
• generatebio / chroma
  A generative model for programmable protein design
  ☆746Updated last year
• sokrypton / ColabDesign
  Making Protein Design accessible to all via Google Colab!
  ☆757Updated last month