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
- ☆25May 29, 2025Updated 10 months ago
- Platforms to predict reactivity for substitution reactions.☆22May 8, 2021Updated 4 years ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆92Feb 9, 2026Updated 2 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …☆44May 13, 2025Updated 10 months ago
- Implementation of reaction condition prediction with Parrot☆21Nov 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 2 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☆50Jan 12, 2025Updated last year
- A Sequence Generation Model for Reaction Diagram Parsing☆111Sep 18, 2023Updated 2 years ago
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆21Feb 20, 2025Updated last year
- Repository for the EMNLP 2023 Demo Paper "Reaction Miner: An Integrated System for Chemical Reaction Extraction from Textual Data"☆19Jan 27, 2025Updated last year
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- ☆14Sep 19, 2024Updated last year
- CombiFF: automatized force-field optimization by the CSMS group at ETH Zürich☆18Sep 19, 2022Updated 3 years ago
- ☆42Nov 29, 2025Updated 4 months ago
- The Nutmeg machine learning models☆11Jan 23, 2025Updated last year
- ☆13Jan 13, 2019Updated 7 years 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 10 months ago
- ☆21Mar 9, 2026Updated last month
- ☆84Jan 8, 2024Updated 2 years ago
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- 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☆53Jun 23, 2025Updated 9 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆47Jan 28, 2026Updated 2 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 3 years ago
- coming soon☆28May 9, 2023Updated 2 years ago
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆84Mar 26, 2022Updated 4 years ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- ☆20Feb 2, 2026Updated 2 months ago
- ☆26Apr 14, 2024Updated last year
- ☆19Jul 9, 2023Updated 2 years ago
- Multi-Dimensional Visualization (MDV) is an open-source toolkit for analyzing and visualizing spatial and molecular datasets. Code licens…☆32Updated this week
- Biosynthesis Navigator for Natural Products☆55Jul 4, 2022Updated 3 years ago
- Official code repository for the paper Drug Discovery with Dynamic Goal-aware Fragments (ICML 2024)☆19Sep 9, 2024Updated last year
- Multiple Optimized Specialists for AI-Driven Chemical Predictions☆85Feb 3, 2026Updated 2 months ago