Implementation of NeurIPS24 paper "Generalized Protein Pocket Generation with Prior-Informed Flow Matching"
☆19May 15, 2025Updated 10 months ago
Alternatives and similar repositories for PocketFlow
Users that are interested in PocketFlow are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- BC-Design: A Biochemistry-Aware Framework for High-Precision Inverse Protein Folding https://www.biorxiv.org/content/10.1101/2024.10.28.6…☆20Nov 24, 2025Updated 4 months ago
- ☆41Jun 12, 2025Updated 9 months ago
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆214Apr 15, 2025Updated 11 months ago
- Protein representation and design under a single training scheme☆24Mar 3, 2026Updated 3 weeks ago
- Official implementation of the paper "DiffSDS: A Language Diffusion Model for Protein Backbone Inpainting under Geometric Conditions and …☆14Jun 25, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Implementation of MapDiff: "Mask-prior-guided denoising diffusion improves inverse protein folding" in PyTorch☆45Jul 11, 2025Updated 8 months ago
- [ICLR 2025] Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension☆19May 5, 2025Updated 10 months ago
- All-atom inverse protein folding through discrete flow matching (ICML2025)☆24Mar 11, 2026Updated 2 weeks ago
- Controllable Protein Sequence Generation with LLM Preference Optimization, AAAI 2025☆16Mar 10, 2025Updated last year
- ☆23Nov 6, 2024Updated last year
- 👌[ICLR 2025] TFG-Flow: Training-free Guidance in Multimodal Generative Flow☆19Mar 4, 2025Updated last year
- ☆41Jul 28, 2025Updated 7 months ago
- Unleash MMseqs2’s power for your protein and nucleotide sequence analysis. Fast, simple, seamless!☆46Mar 13, 2026Updated last week
- Official implementation of NeurIPS'24 paper "Bridge-IF: Learning Inverse Protein Folding with Markov Bridges"☆18Mar 16, 2025Updated last year
- 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.
- Design data and process for the AdaptyvBio protein design competition☆10Dec 11, 2024Updated last year
- ☆31Dec 12, 2024Updated last year
- Metal and Water prediction☆13Feb 5, 2025Updated last year
- RAG-ESM is a retrieval-augmented framework that allows to condition pretrained ESM2 protein language models on homologous sequences☆27Aug 21, 2025Updated 7 months ago
- [ICLR 2024 Spotlight] The official repo for the paper "De novo Protein Design using Geometric Vector Field Networks".☆30Aug 23, 2024Updated last year
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆89Oct 6, 2025Updated 5 months ago
- Machine learning prediction of enzyme optimum pH☆25Apr 29, 2025Updated 10 months ago
- ☆32Feb 5, 2025Updated last year
- Source code for the reproduction of RibbonFold paper.☆11May 10, 2025Updated 10 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Research repository to the publication: Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molec…☆14Apr 2, 2024Updated last year
- DyNoPy☆11Sep 5, 2024Updated last year
- NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z☆42Nov 4, 2025Updated 4 months ago
- [PNAS 2025] Code of "Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design".☆33Jan 18, 2026Updated 2 months ago
- Code fo ICLR2025 paper "A Simple yet Effective DDG Predictor is An Unsupervised Antibody Optimizer and Explainer"☆22Jul 18, 2025Updated 8 months ago
- ☆21Jul 16, 2025Updated 8 months ago
- ☆18Dec 5, 2024Updated last year
- Free Parametrization for Small Molecules☆51Feb 18, 2026Updated last month
- Sidechain conditioning and modeling for full-atom protein sequence design☆137Nov 11, 2025Updated 4 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆140Jul 16, 2025Updated 8 months ago
- Diffusion model based protein-ligand flexible docking method☆117Oct 30, 2024Updated last year
- The Family of Diffusion Protein Language Models (DPLM)☆315Jul 25, 2025Updated 8 months ago
- Aligning protein generative models with experimental fitness☆120Mar 12, 2026Updated 2 weeks ago
- ☆39Oct 22, 2024Updated last year
- ☆20Aug 25, 2025Updated 7 months ago
- A comprehensive benchmark on the performances of multiple protein backbone generative models.☆65Feb 2, 2026Updated last month