Precedent-based framework for evaluating reaction chemical plausibility
☆20Sep 28, 2026Updated last month
Alternatives and similar repositories for ChemCensor
Users that are interested in ChemCensor are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- RetroCast: A Unified Format for Multistep Retrosynthesis☆30Oct 31, 2026Updated last week
- [WWW 25] USPTO-LLM: A Large Language Model-Assisted Information-enriched Chemical Reaction Dataset☆20Dec 12, 2024Updated last year
- Tools to train synthesis prediction models☆31Feb 11, 2026Updated 8 months ago
- A Python package that uses stratified sampling to sample the chemical space around different chemical Series.☆12Sep 19, 2026Updated last month
- ☆14Aug 2, 2026Updated 3 months ago
- 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.
- ☆49Aug 4, 2023Updated 3 years ago
- Updated fast, rule-free atom mapping for chemical reactions with a full pipeline to train, select, and evaluate your own RXNMapper/ALBERT…☆21Aug 20, 2026Updated 2 months ago
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆29Jul 2, 2024Updated 2 years ago
- ☆24Nov 10, 2020Updated 5 years ago
- Computer-aided synthesis planning☆60Updated this week
- The home of the SMARTS-RX project☆41Aug 19, 2026Updated 2 months ago
- 🧬 A Genetic Algorithm for Navigating Synthesizable Molecular Spaces (ICLR 2026)☆16Apr 1, 2026Updated 7 months ago
- Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring syste…☆13May 25, 2020Updated 6 years ago
- AudioMuse-AI-DCLAP is a lightweight, high-speed distilled version of LAION CLAP, designed for fast and efficient text-to-music search☆11Jun 17, 2026Updated 4 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.
- Deterministic classification, naming, and analysis of chemical reactions☆60Aug 10, 2026Updated 2 months ago
- RetroChimera: a frontier retrosynthesis model built on ensembling☆95Updated this week
- Plugin to show molecule images on mouseover using RDKit and Altair☆11May 15, 2024Updated 2 years ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆94Aug 5, 2024Updated 2 years ago
- Hierarchical template correction for chemical reactions☆23Aug 9, 2024Updated 2 years ago
- ☆12Jan 31, 2025Updated last year
- Code for our paper Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction (ICML 2021)☆21Jun 7, 2021Updated 5 years ago
- Fast, lightweight reaction classification with high granularity☆33Jul 13, 2026Updated 3 months ago
- ☆17Oct 1, 2025Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- DeGAML-LLM: Decoupling Generalization and Adaptation in Meta-Learning for Large Language Models☆19Jan 8, 2026Updated 10 months ago
- Papers and implementations of distillation for diffusion models☆14Sep 2, 2023Updated 3 years ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆50Mar 2, 2021Updated 5 years ago
- Official repository for K-Fold biomolecular structure prediction☆27Updated this week
- Predicting Organic Reactivity with LocalTransform☆53Mar 28, 2025Updated last year
- ☆32Oct 20, 2026Updated 2 weeks ago
- ☆12Jun 29, 2025Updated last year
- Toolkit for large scale ADMET modelling☆31Nov 2, 2026Updated last week
- A curated biochemical database that integrates and refines data from KEGG and ATLAS databases to support precise analyses of biochemical …☆15May 13, 2026Updated 5 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.
- A refined evaluation pipeline for 3D molecular generative models trained on GEOM-Drugs.☆16Sep 10, 2025Updated last year
- Tools for molecular Docking☆32Sep 22, 2026Updated last month
- ☆33Sep 9, 2025Updated last year
- In process work on active learning tutorials☆10Feb 19, 2024Updated 2 years ago
- ☆10Jul 29, 2025Updated last year
- 🕸 Network-based multi-omic integration of metabolomics data.☆10Oct 19, 2026Updated 3 weeks ago
- The official source code for "RAG-Enhanced Collaborative LLM Agents for Drug Discovery"☆32Nov 13, 2025Updated 11 months ago
Are these results useful?