This repository contains a reaction condition selector.
☆15Mar 19, 2025Updated last year
Alternatives and similar repositories for Reaction-Condition-Selector
Users that are interested in Reaction-Condition-Selector are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Predictive Chemistry Augmented with Text Retrieval☆25Feb 20, 2024Updated 2 years ago
- ☆29Sep 13, 2024Updated last year
- ☆10Jul 30, 2024Updated last year
- ☆25May 29, 2025Updated 11 months ago
- Platforms to predict reactivity for substitution reactions.☆22May 8, 2021Updated 5 years 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.
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆94Apr 13, 2026Updated last month
- Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …☆44May 13, 2025Updated last year
- Implementation of reaction condition prediction with Parrot☆22Nov 16, 2023Updated 2 years ago
- [ACL 2024] ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining. by Zhiyuan Liu*, Yaoru…☆28Sep 3, 2024Updated last year
- Advancing molecular machine learning representations with stereoelectronics-infused molecular graphs☆34Feb 9, 2026Updated 3 months ago
- Reinforcement learning prioritizes general applicability in reaction optimization☆23Mar 7, 2025Updated last year
- 【Nature Computational Science 2025🔥】Deep peak property learning for efficient chiral molecules ECD spectra prediction☆51Jan 12, 2025Updated last year
- A Sequence Generation Model for Reaction Diagram Parsing☆114Sep 18, 2023Updated 2 years ago
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆22Feb 20, 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.
- Repository for the EMNLP 2023 Demo Paper "Reaction Miner: An Integrated System for Chemical Reaction Extraction from Textual Data"☆19Jan 27, 2025Updated last year
- ☆14Sep 19, 2024Updated last year
- CombiFF: automatized force-field optimization by the CSMS group at ETH Zürich☆18Sep 19, 2022Updated 3 years ago
- The Nutmeg machine learning models☆11Jan 23, 2025Updated last year
- ☆13Jan 13, 2019Updated 7 years ago
- ☆46Nov 29, 2025Updated 5 months ago
- ☆12Oct 21, 2024Updated last year
- Graphormer-IR is an extension of the Graphormer framework, specifically to perform predictions of infrared spectra using only chemical st…☆14May 16, 2025Updated last year
- ☆23Mar 9, 2026Updated 2 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆84Jan 8, 2024Updated 2 years ago
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆30Oct 18, 2024Updated last year
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆55Jun 23, 2025Updated 11 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆50Jan 28, 2026Updated 3 months ago
- ☆23Sep 27, 2024Updated last year
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Sep 22, 2023Updated 2 years ago
- An environment for testing tensorflow models.☆14Oct 29, 2017Updated 8 years ago
- Chemical reaction data cleaning☆31Apr 19, 2022Updated 4 years ago
- coming soon☆28May 9, 2023Updated 3 years 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.
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆84Mar 26, 2022Updated 4 years ago
- ☆21May 13, 2026Updated last week
- ☆19Jul 9, 2023Updated 2 years ago
- ☆27Apr 14, 2024Updated 2 years ago
- Biosynthesis Navigator for Natural Products☆56Jul 4, 2022Updated 3 years ago
- Official code repository for the paper Drug Discovery with Dynamic Goal-aware Fragments (ICML 2024)☆20Sep 9, 2024Updated last year
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago