☆73Apr 24, 2026Updated 6 months ago
Alternatives and similar repositories for Boltz2_affinity
Users that are interested in Boltz2_affinity are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Preprocessing file generator (v1) and hosted Boltz-2 API builder/submitter (v2.0): binary, ternary, or N-body protein-ligand-DNA-RNA bind…☆12Oct 22, 2026Updated 3 weeks ago
- Fast, memory-efficient Butina clustering and dataset splitting for chemical fingerprints☆12Jun 4, 2026Updated 5 months ago
- Accelerating Open-Source Binding Affinity Predictions☆204Aug 22, 2026Updated 2 months ago
- AI-powered MD trajectory analysis IDE with cpptraj, RAG, and 3D viewer☆13Mar 15, 2026Updated 7 months ago
- Codebase for SigmaDock: Untwisting Molecular Docking with SE(3) Fragmented Diffusion☆101Apr 7, 2026Updated 7 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Discrete Cosine Spectral Diffusion for Protein Dynamics☆15Aug 31, 2026Updated 2 months ago
- converting 3d molecular representations to 2d☆14Sep 10, 2026Updated 2 months ago
- A lightweight, fast pocket finder in Python.☆93Jul 22, 2026Updated 3 months ago
- Cheminformatics package from the Miranda-Quintana group☆23Sep 23, 2026Updated last month
- Python tool for combining steric maps and buried-volume figures with publication-ready molecular graphics rendering from xyzrender.☆32Updated this week
- ANNalog package☆28Aug 27, 2026Updated 2 months ago
- Constava analyzes conformational ensembles calculating conformational state propensities and conformational state variability.☆11Mar 16, 2026Updated 7 months ago
- Local-first molecular modeling, WebGPU simulation, and conformer exploration in the browser☆28Sep 25, 2026Updated last month
- Claude AI plugin for PyMOL to control PyMOL with plain English☆17May 21, 2026Updated 5 months ago
- 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.
- ☆18Jun 12, 2026Updated 5 months ago
- ML-based ligand generator☆22May 8, 2026Updated 6 months ago
- IPSAE2: calculates ipSAE scores for protein/protein, protein/ligand, protein/nucleic-acid complexes, etc.☆37Nov 4, 2026Updated last week
- Reproducible cleaning and standardization of SMILES-based chemical datasets☆23Apr 15, 2026Updated 6 months ago
- Configuration-driven, reproducible ML workflows for molecules and materials, with DOE, auditable artifacts and agent-assisted execution.☆20Aug 29, 2026Updated 2 months ago
- ☆20Feb 27, 2026Updated 8 months ago
- Virtual Medicinal Chemist, SAR reasoning☆44Jun 9, 2026Updated 5 months ago
- Repository for the 2024 OpenFE industry benchmark efforts☆49Aug 26, 2026Updated 2 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26May 22, 2025Updated 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.
- GPU-accelerated (CUDA) contact molecular surface (CMS) and Lawrence & Colman shape complementarity (SC) for protein design☆32Sep 26, 2026Updated last month
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆176Oct 26, 2026Updated 2 weeks ago
- Open-source SBDD toolkit for standardized import of binding poses, restrained OpenMM minimization, pose QC, protein-ligand interaction an…☆23Sep 11, 2026Updated 2 months ago
- Assessing Boltz-2 performance for the binding classification of docking hits☆11Jan 5, 2026Updated 10 months ago
- equivariant NMR prediction☆20Sep 16, 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 8 months ago
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Jun 30, 2025Updated last year
- PEACE: Protomer Enumerator & Automatic Calculator for Energies☆15Nov 5, 2026Updated last week
- A Unified 3D Generative Model for Synthesizable Structure-Based Drug Design.☆100Oct 10, 2026Updated last month
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A Multi-Task Generative model for Structure-Based Drug Design☆73Oct 12, 2026Updated last month
- Pretrain Graph Transformers on molecular descriptors via masked autoencoding.☆27Sep 28, 2026Updated last month
- A 3D Molecular Generation Framework for Data-driven Molecular Applications.☆20Sep 28, 2026Updated last month
- The Open Free Energy toolkit☆347Updated this week
- Official Code Repo for LinkLlama☆15Oct 12, 2026Updated last month
- ☆19Aug 18, 2026Updated 2 months ago
- BitBIRCH clustering algorithm☆134Oct 21, 2025Updated last year
Are these results useful?