Predicting water moelcule placements on protein surfaces using flow matching conditioned on learned protein structure embeddings.
☆18Sep 17, 2026Updated last month
Alternatives and similar repositories for WaterFlow
Users that are interested in WaterFlow are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Consensus pharmacophore for Drug Design☆12Aug 22, 2025Updated last year
- A PyQt5-based interactive tool for aligning and visualizing molecular analogs with customizable highlighting, transformations, and high-r…☆12Apr 29, 2026Updated 6 months ago
- Unlocking Generative Diversity in Co-Folding Models via Training-Free Conditioning Perturbation☆11Oct 14, 2026Updated 3 weeks ago
- ☆19Aug 18, 2026Updated 2 months ago
- ☆12Aug 25, 2026Updated 2 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- PEACE: Protomer Enumerator & Automatic Calculator for Energies☆15Updated this week
- ☆31Oct 30, 2026Updated last week
- Deconvolving mutation effects on protein stability and function with disentangled protein language models☆19May 15, 2026Updated 5 months ago
- PLaTITO is an open-source model for generative molecular dynamics of proteins.☆28Oct 12, 2026Updated 3 weeks ago
- example demonstrating a free energy estimation starting from OFF and OpenMM☆12Oct 21, 2020Updated 6 years ago
- Finds cryptic binding pockets in proteins and nucleic acids that are invisible in a single static structure. Generates a conformational e…☆112Updated this week
- Code for generating ensembles with IDPFold2☆30Oct 1, 2026Updated last month
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆59Jul 22, 2025Updated last year
- An open source version of EVQLV's HyperBindAI, a contrastive learning model for Ab-Ag interactivity.☆12Jun 11, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- BEER - Biophysical Evaluation Engine for Residues☆13Jun 16, 2026Updated 4 months ago
- ShEPhERD-2 code: Interaction Profiles as a Universal Language for Generative Molecular Design☆65Oct 23, 2026Updated 2 weeks ago
- ProtSATT: An Advanced Protein Solubility Predictor Based on Attention Mechanism☆16Apr 20, 2026Updated 6 months ago
- ☆18Jun 12, 2026Updated 4 months ago
- ☆33Apr 16, 2026Updated 6 months ago
- LillyMol Public Code☆17Updated this week
- Graph neural network for modeling multispecific antibody functional data☆14Feb 2, 2026Updated 9 months ago
- Repository for Q and Q-FEP modules☆25Updated this week
- ☆16Mar 27, 2026Updated 7 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.
- FeNNol Pretrained Models Collection☆22Dec 17, 2025Updated 10 months ago
- CryoACE☆13Jul 22, 2026Updated 3 months ago
- Alchemical Free Energy Calculations with Grand Canonical Ensemble☆24May 2, 2026Updated 6 months ago
- ☆35Aug 6, 2026Updated 3 months ago
- Fork of Q. A program for understanding biomolecular properties with molecular dynamics under the hood.☆10Sep 10, 2021Updated 5 years ago
- Fast gpu-accelerated rigid-rigid docking onto protein backbones without a sequence.☆12Feb 18, 2026Updated 8 months ago
- AI-powered MD trajectory analysis IDE with cpptraj, RAG, and 3D viewer☆13Mar 15, 2026Updated 7 months ago
- ☆14Aug 26, 2026Updated 2 months ago
- PeptoneBench: evaluating protein ensembles across the order-disorder continuum☆22Mar 24, 2026Updated 7 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆37Feb 20, 2026Updated 8 months ago
- A Unified 3D Generative Model for Synthesizable Structure-Based Drug Design.☆99Oct 10, 2026Updated 3 weeks ago
- Metadiffusion implemented in Boltz-2☆25Feb 23, 2026Updated 8 months ago
- Antibody structure prediction model for sampling conformational ensembles☆23Apr 14, 2026Updated 6 months ago
- A scalable architecture for generating 3D molecules atom-by-atom☆15Sep 6, 2025Updated last year
- Reproducible cleaning and standardization of SMILES-based chemical datasets☆23Apr 15, 2026Updated 6 months ago
- Cheminformatic extension for SQLAlchemy☆18Aug 9, 2026Updated 2 months ago