SBDD Benchmarking
☆14Feb 18, 2025Updated last year
Alternatives and similar repositories for SBDD-benchmarking
Users that are interested in SBDD-benchmarking are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Peptide2Mol: A Diffusion Model for Generating Small Molecules as Peptide Mimics for Targeted Protein Binding☆20Jul 7, 2026Updated 4 months ago
- ☆10Apr 24, 2025Updated last year
- ☆22Oct 3, 2026Updated last month
- Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints (ECFPs)☆10Feb 13, 2025Updated last year
- ☆21Dec 5, 2024Updated last year
- 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.
- converting 3d molecular representations to 2d☆14Sep 10, 2026Updated last month
- Torsion profile calculation and analysis made easy! Get quick access to various methods.☆13Dec 19, 2025Updated 10 months ago
- ☆18Jul 30, 2024Updated 2 years ago
- ☆11Jan 26, 2026Updated 9 months ago
- Reproducible cleaning and standardization of SMILES-based chemical datasets☆23Apr 15, 2026Updated 6 months ago
- TarPass, a benchmark for target-aware de novo molecular generation.☆16Sep 23, 2026Updated last month
- AutoCorrelation of Pharmacophore Features☆15Mar 6, 2023Updated 3 years ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆35Mar 24, 2025Updated last year
- ☆19Apr 17, 2025Updated last year
- 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.
- Generate Dose-Response Curves in Python☆12Sep 15, 2026Updated last month
- Energy minimization post-processing used in PoseBusters☆14Apr 4, 2025Updated last year
- ☆37Feb 20, 2026Updated 8 months ago
- ☆14Dec 13, 2025Updated 10 months ago
- fast functionalisation of molecules☆40Nov 8, 2021Updated 5 years ago
- RINGER: Rapid Conformer Generation for Macrocycles with Sequence-Conditioned Internal Coordinate Diffusion☆25Oct 14, 2026Updated 3 weeks ago
- ☆59May 9, 2025Updated last year
- PharmaMind® is an innovative drug discovery platform that integrates advanced artificial intelligence and computational simulation design…☆27Sep 15, 2022Updated 4 years ago
- 3D_Molecular_Generation☆117Nov 23, 2024Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- TAGMol: Target-Aware Gradient-guided Molecule Generation (ICML'24 ML4LMS Workshop)☆15Aug 29, 2024Updated 2 years ago
- ☆12Sep 11, 2025Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- ML-guided visual inspection for molecular docking☆21Jun 3, 2025Updated last year
- demo share☆12May 22, 2026Updated 5 months ago
- simple ML tool☆14Jul 9, 2024Updated 2 years ago
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆23Feb 20, 2025Updated last year
- ☆44Mar 26, 2025Updated last year
- ☆13Jul 14, 2025Updated last year
- 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.
- ☆13Jun 7, 2024Updated 2 years ago
- Benchmarking deep learning models generating molecules in 3D☆20Apr 12, 2025Updated last year
- Plugin to show molecule images on mouseover using RDKit and Altair☆11May 15, 2024Updated 2 years ago
- Cheminformatics package from the Miranda-Quintana group☆23Sep 23, 2026Updated last month
- ☆20Dec 16, 2024Updated last year
- Generates and scores synthetically tractable elaborations from fragment screens☆44Oct 14, 2026Updated 3 weeks ago
- Structural similarity benchmark☆11Dec 6, 2017Updated 8 years ago