Assessing Boltz-2 performance for the binding classification of docking hits
☆11Jan 5, 2026Updated 9 months ago
Alternatives and similar repositories for Boltz-2_performance
Users that are interested in Boltz-2_performance are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Binding affinity prediction for drug discovery☆10Aug 28, 2025Updated last year
- ☆35Feb 27, 2026Updated 8 months ago
- ☆14Updated this week
- ML-based ligand generator☆23May 8, 2026Updated 5 months ago
- ☆13Apr 13, 2026Updated 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.
- Linux and MacOS codes to simulate protein transition pathways with eBDIMS2☆13Sep 26, 2026Updated last month
- ☆18Jun 12, 2026Updated 4 months ago
- De novo Design of Macrocyclic Molecular Glues☆33Oct 14, 2026Updated 3 weeks ago
- AdaptiveFlow for Virtual Screening (AFVS)☆20Updated this week
- Uni-FEP-Benchmarks is a benchmark dataset designed to systematically evaluate Uni-FEP.☆61Oct 28, 2026Updated last week
- ☆12Jan 28, 2024Updated 2 years ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆25Oct 2, 2024Updated 2 years ago
- TarPass, a benchmark for target-aware de novo molecular generation.☆16Sep 23, 2026Updated last month
- Examples of MolScore implementations☆12May 30, 2024Updated 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.
- ☆12Jul 2, 2024Updated 2 years ago
- A Unified 3D Generative Model for Synthesizable Structure-Based Drug Design.☆100Oct 10, 2026Updated 3 weeks ago
- This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.☆66Dec 17, 2025Updated 10 months ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆42Sep 21, 2026Updated last month
- Code repository for the SPOC tool for scoring binary AF-M predicitons.☆16Apr 27, 2025Updated last year
- ☆11Jun 7, 2024Updated 2 years ago
- An introduction to small molecule drug design with practicals☆15Sep 10, 2026Updated last month
- AssayBench: An Assay-Level Virtual Cell Benchmark for LLMs and Agents☆19Sep 30, 2026Updated last month
- ☆80Updated this week
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- A collection of cheminformatics utility functions for use with marimo notebooks☆25Aug 21, 2026Updated 2 months ago
- A PyMOL plugin with accompanying Docker image for kinase inhibitor binding and affinity prediction☆12Jun 3, 2024Updated 2 years ago
- A python package for performing GROMACS simulation ensembles☆22Jul 12, 2026Updated 3 months ago
- ☆18Mar 13, 2024Updated 2 years ago
- A GNN model for the prediction of SOMs in small organic molecules.☆15Aug 25, 2026Updated 2 months ago
- ☆18Jul 30, 2024Updated 2 years ago
- ☆18Apr 17, 2025Updated last year
- Energy minimization post-processing used in PoseBusters☆14Apr 4, 2025Updated last year
- De novo drug design with deep interactome learning☆43Mar 20, 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.
- Specification of Balsa, a chemical line notation based on SMILES.☆10Feb 5, 2023Updated 3 years ago
- OpenMM, an open-source platform for molecular dynamics (MD) simulations, is supported by an MCP server that offers a structured communica…☆36May 31, 2025Updated last year
- ☆33Apr 16, 2026Updated 6 months ago
- ☆47Dec 30, 2025Updated 10 months ago
- Model Context Protocol server for accessing Reactome pathway and systems biology data.☆12Dec 21, 2025Updated 10 months ago
- 《从零到一：打造你的专属爆款标题生成助手，让写作不再焦虑》☆13Mar 9, 2025Updated last year
- Structural optimization of drug molecules by generative deep learning.☆17Apr 9, 2026Updated 6 months ago