☆53Mar 24, 2025Updated last year
Alternatives and similar repositories for DrugDiff
Users that are interested in DrugDiff are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- gpu implementation mopac☆16Oct 11, 2025Updated 9 months ago
- Drug-Likeness☆16Dec 11, 2022Updated 3 years ago
- ☆13May 24, 2026Updated 2 months ago
- Research repository for diffusion based structure based drug design☆30Mar 12, 2025Updated last year
- Using a joint AE and property prediction model to estimate OOD molecules and quantify uncertainty☆27Apr 25, 2026Updated 3 months ago
- 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.
- Cheminformatics tools that work natively with Google tools such as Sheets and BigQuery☆17Jul 12, 2024Updated 2 years ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆50Jun 5, 2026Updated last month
- Implementations of different GNNs from scratch for chemists☆175May 14, 2026Updated 2 months ago
- BitBIRCH clustering algorithm☆130Oct 21, 2025Updated 9 months ago
- Active learning workflow to train and fine-tune molecular property predictors with chemist feedback for goal-oriented molecule generation…☆15Apr 25, 2025Updated last year
- Mordred port in cpp☆57Feb 27, 2025Updated last year
- MolMiner, a generative model for fragment-based, 3D-aware, inverse conditional molecular design☆17May 4, 2026Updated 2 months ago
- Molecular Descriptors with Actively Identified Subsets☆17Aug 25, 2025Updated 10 months ago
- Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design☆14Apr 22, 2021Updated 5 years ago
- 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.
- Examples of MolScore implementations☆12May 30, 2024Updated 2 years ago
- ☆15Jun 25, 2025Updated last year
- Structure-based drug design based on Retrieval Augmented Generation☆28Nov 7, 2025Updated 8 months ago
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆213Apr 26, 2026Updated 2 months ago
- ☆10Jun 7, 2023Updated 3 years ago
- This repository contains the inference, model and tokenizer code for the Molecular Fingerprinting model MFBERT.☆12Nov 8, 2021Updated 4 years ago
- MCP server that enables language models to interact with RDKit through natural language