MaSIF-neosurf: surface-based protein design for ternary complexes.
☆174Feb 6, 2026Updated 2 months ago
Alternatives and similar repositories for masif-neosurf
Users that are interested in masif-neosurf are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Sidechain conditioning and modeling for full-atom protein sequence design☆138Nov 11, 2025Updated 5 months ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆240Sep 29, 2025Updated 6 months ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆296Dec 23, 2025Updated 3 months ago
- ☆16Mar 28, 2025Updated last year
- In silico directed evolution of peptide binders with AlphaFold☆265Jan 5, 2026Updated 3 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.
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆132Sep 3, 2025Updated 7 months ago
- ☆563Feb 6, 2025Updated last year
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆523Mar 22, 2026Updated 3 weeks ago
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆88Jun 23, 2024Updated last year
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆184Oct 7, 2025Updated 6 months ago
- Utility scripts to generate and evaluate parametrically guided beta barrel protein backbone structures.☆14Nov 14, 2025Updated 5 months ago
- Plausibility checks for generated molecule poses.☆369Mar 7, 2026Updated last month
- Learning Universal Representations of Intermolecular Interactions with ATOMICA☆210Mar 5, 2026Updated last month
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆328Oct 6, 2025Updated 6 months ago
- 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.
- Masif seed paper repository☆173Sep 22, 2025Updated 6 months ago
- Modelling protein conformational landscape with Alphafold☆56Aug 29, 2025Updated 7 months ago
- PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.☆239Nov 5, 2025Updated 5 months ago
- ☆149Jul 16, 2025Updated 9 months ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆742Jun 19, 2024Updated last year
- Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning☆788Updated this week
- Protein-ligand structure prediction☆240Jul 31, 2025Updated 8 months ago
- ☆18Mar 13, 2024Updated 2 years ago
- Diffusion model based protein-ligand flexible docking method☆118Oct 30, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles☆74Jul 2, 2025Updated 9 months ago
- Public RFDiffusionAA repo☆477Jul 9, 2024Updated last year
- Making Protein Design accessible to all via Google Colab!☆903Apr 6, 2026Updated last week
- ☆43Nov 29, 2025Updated 4 months ago
- AI-powered ab initio biomolecular dynamics simulation☆574Feb 18, 2025Updated last year
- ☆802May 27, 2025Updated 10 months ago
- Inference code for RFdiffusion2☆411Apr 3, 2026Updated 2 weeks ago
- All-atom protein generation using latent diffusion, with compositional function and taxonomic prompts. http://bit.ly/plaid-proteins☆122May 27, 2025Updated 10 months ago
- Toward High-Accuracy Open-Source Biomolecular Structure Prediction.☆1,821Updated this week
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆233Dec 29, 2023Updated 2 years ago
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆215Apr 15, 2025Updated last year
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆92Mar 31, 2026Updated 2 weeks ago
- Multi-domain Distribution Learning for De Novo Drug Design☆154Jan 26, 2026Updated 2 months ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆120Jan 28, 2026Updated 2 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆43May 15, 2024Updated last year
- This is the offical codebase to reproduce and use EVOLVEpro, a model for in silico directed evolution of protein activities using few-sho…☆353Jun 11, 2025Updated 10 months ago