A pure-Rust cheminformatics library targeting RDKit feature parity — zero C/C++ by default.
☆31Nov 9, 2026Updated this week
Alternatives and similar repositories for chematic
Users that are interested in chematic are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This repository provides the scripts to generate and analyze the LOBSTER dataset of small molecule superpositions. The dataset is availab…☆12Nov 18, 2024Updated last year
- Scripts for protonating proteins and ligands☆19Sep 21, 2026Updated last month
- Pure-Rust cheminformatics toolkit and RDKit-compatible alternative for SMILES/SMARTS, SDF, fingerprints, substructure search, ETKDG, UFF/…☆35Updated this week
- 2025 RDKit UGM☆30Sep 10, 2026Updated 2 months ago
- Official Code Repo for LinkLlama☆15Oct 12, 2026Updated 3 weeks 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.
- Repository for the 2026 RDKit UGM☆26Sep 11, 2026Updated last month
- Selection language for RDKit☆17Mar 20, 2026Updated 7 months ago
- RCSB Python Database Utility Classes☆11Updated this week
- ☆10Mar 27, 2025Updated last year
- PROTAC-Splitter: a machine learning framework designed for automated annotation of PROTAC substructures.☆31Nov 2, 2026Updated last week
- Schrödinger Sketcher☆43Updated this week
- A PyQt5-based interactive tool for aligning and visualizing molecular analogs with customizable highlighting, transformations, and high-r…☆12Apr 29, 2026Updated 6 months ago
- DockCADD An automated computational framework for molecular docking☆15Mar 31, 2026Updated 7 months ago
- ☆19May 1, 2026Updated 6 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.
- MolWall: "Wall of molecules" interface to see and rate molecules☆12Mar 15, 2023Updated 3 years ago
- A Multi-Task Generative model for Structure-Based Drug Design☆73Oct 12, 2026Updated 3 weeks ago
- Alchemical mutation scoring map☆11May 19, 2024Updated 2 years ago
- ☆10Jul 2, 2021Updated 5 years ago
- Utilities for working with the RDKit☆21Sep 5, 2016Updated 10 years ago
- ☆41Nov 2, 2024Updated 2 years ago
- Chi is an open source Python package which is designed for PKPD modelling and model-informed precision dosing (MIPD).☆17May 23, 2026Updated 5 months ago
- A simple script to extract bioactivity data from the ChEBML database☆11Sep 19, 2025Updated last year
- ☆15Aug 22, 2026Updated 2 months ago
- 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.
- Dashboard for LLM Drug Discovery Challenge.☆14Sep 6, 2023Updated 3 years ago
- ☆11Jan 22, 2026Updated 9 months ago
- ☆37Feb 20, 2026Updated 8 months ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 8 months ago
- Generate Simple Pharmacophore Models with RDKit☆52Sep 30, 2026Updated last month
- ☆16Mar 27, 2026Updated 7 months ago
- Python toolkit for pre- and post-processing of FMO calculations☆16Oct 4, 2026Updated last month
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆44Updated this week
- RDKit Made Idiomatic for Rust☆28Oct 9, 2026Updated last month
- 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.
- converting 3d molecular representations to 2d☆14Sep 10, 2026Updated last month
- A package to prepare SMILES databases (Protonation, neutralization, tautomers,..)☆52Updated this week
- Curate datasets with ease.☆31Sep 19, 2024Updated 2 years ago
- An all-in-a-box Drug Discovery AI agent tool☆20Feb 22, 2026Updated 8 months ago
- Energy minimization post-processing used in PoseBusters☆14Apr 4, 2025Updated last year
- Rust wrapper for the RDKit using CFFI☆16Jul 17, 2026Updated 3 months ago
- ☆18Jun 12, 2026Updated 4 months ago
Are these results useful?