☆25Sep 3, 2026Updated this week
Alternatives and similar repositories for SEMG-MIGNN
Users that are interested in SEMG-MIGNN 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 contains a reaction condition selector.☆17Mar 19, 2025Updated last year
- ☆23Nov 13, 2025Updated 9 months ago
- Chemical reaction data cleaning☆31Apr 19, 2022Updated 4 years ago
- Accelerating Bayesian reaction optimization with limited data☆13Aug 5, 2023Updated 3 years ago
- ☆10Jul 30, 2024Updated 2 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.
- ☆16Jan 22, 2023Updated 3 years ago
- ☆15Feb 27, 2026Updated 6 months ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆49Mar 2, 2021Updated 5 years ago
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆14Jan 17, 2022Updated 4 years ago
- ☆35Apr 23, 2026Updated 4 months ago
- E_G_M_C_T_S☆16Nov 30, 2022Updated 3 years ago
- ☆29Sep 13, 2024Updated last year
- 【Nature Computational Science 2025🔥】Deep peak property learning for efficient chiral molecules ECD spectra prediction☆51Jan 12, 2025Updated last year
- The official implementation of the paper "MotifRetro: Exploring the Combinability-Consistency Trade-offs in retrosynthesis via Dynamic Mo…☆11Jun 25, 2023Updated 3 years 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.
- ☆22Aug 1, 2023Updated 3 years ago
- ☆79Sep 17, 2023Updated 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
- ☆21Feb 13, 2026Updated 6 months ago
- Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …☆44May 13, 2025Updated last year
- Python code for mechanistic dataset generation☆24Aug 19, 2025Updated last year
- ChemoPy: freely available python package for computational biology and chemoinformatics.☆15May 30, 2021Updated 5 years ago
- IUPAC2Struct☆37Jun 24, 2024Updated 2 years ago
- Visualizing the space of chemical reactions with the parametric (learnable) t-SNE.☆16May 5, 2022Updated 4 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.
- Encoding chemistry to interpret crystallographic data☆30Aug 14, 2026Updated 3 weeks ago
- Python code accompanying the academic paper on the prediction of the SFT-log(c) profile for surfactants in water☆13Feb 8, 2022Updated 4 years ago
- ☆39Jul 19, 2024Updated 2 years ago
- Base image providing dependencies for ASKCOS Docker images☆12Jun 14, 2024Updated 2 years ago
- Official code repo for the paper "ChemToolAgent: The Impact of Tools on Language Agents for Chemistry Problem Solving" (previously "Tooli…☆20Jun 7, 2025Updated last year
- ☆23May 30, 2025Updated last year
- ☆89Jan 11, 2025Updated last year
- GraphRXN☆32May 22, 2023Updated 3 years ago
- A Multi-Operator Equivariant Framework for High-Performance Machine Learning Force Fields, supporting External Fields embedding and Physi…☆21Jun 14, 2026Updated 2 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.
- Repository for the EMNLP 2023 Demo Paper "Reaction Miner: An Integrated System for Chemical Reaction Extraction from Textual Data"☆19Jan 27, 2025Updated last year
- ☆23Nov 10, 2020Updated 5 years ago
- Code for our paper Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction (ICML 2021)☆21Jun 7, 2021Updated 5 years ago
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆190Sep 18, 2023Updated 2 years ago
- ☆25Sep 27, 2024Updated last year
- Predicting molecular structure from multimodal spectroscopic data☆30Jun 19, 2026Updated 2 months ago
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 3 years ago