☆15Jul 18, 2023Updated 3 years ago
Alternatives and similar repositories for jsme-react
Users that are interested in jsme-react are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆110Mar 9, 2025Updated last year
- An editor to View and Edit Chemical Spectra data (NMR, IR and MS).☆16Oct 25, 2026Updated last week
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- Neural Message Passing for NMR Chemical Shift Prediction☆11Aug 10, 2022Updated 4 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- JSME Molecule Editor ipywidget for jupyter notebook☆13Jul 5, 2025Updated last year
- ☆12Jul 28, 2022Updated 4 years ago
- ☆17Sep 2, 2021Updated 5 years ago
- Alignment-free 3D molecular shape descriptors based on spectral and diffusion geometry. Provides tools for computing Laplace-Beltrami spe…☆12Jan 21, 2019Updated 7 years ago
- React components integrating OpenChemLib☆15Jul 10, 2026Updated 3 months ago
- Make valid molecular graphs!☆23Mar 8, 2024Updated 2 years ago
- Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …☆18Sep 29, 2023Updated 3 years ago
- ☆13Nov 5, 2020Updated 5 years ago
- Repository for the featurization of the NiCOlit reaction dataset and machine learning model training for yield prediction☆14Sep 13, 2022Updated 4 years ago
- 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.
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆25Sep 21, 2024Updated 2 years ago
- Numerical inversion package for time-domain Nuclear Magnetic Resonance (NMR) relaxation and diffusion experiments. Click on the link bel…☆14Oct 16, 2026Updated 2 weeks ago
- Grid Generation☆11Mar 7, 2024Updated 2 years ago
- Demonstration of drawing molecular diagrams with Three.js☆10Dec 4, 2023Updated 2 years ago
- Synthetic Bayesian Classification☆49Jan 18, 2021Updated 5 years ago
- DOSY processing☆11Mar 11, 2022Updated 4 years ago
- Shape-based alignment of molecules using 3D point-based representation☆26Apr 8, 2026Updated 6 months ago
- ☆14Jul 11, 2026Updated 3 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.
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆48Jan 27, 2022Updated 4 years ago
- Simulated Marketplace - LLM-Powered Freelance Market Simulation☆13Oct 17, 2025Updated last year
- ☆27Sep 28, 2021Updated 5 years ago
- Python On Resonance (PyOR), a versatile NMR simulator☆14Oct 6, 2026Updated 3 weeks ago
- Storytelling With Matplotlib (SWMat)☆13Jul 25, 2019Updated 7 years ago
- Autoencoder network for learning a continuous representation of molecular structures.☆28Nov 20, 2016Updated 9 years ago
- Chemical Structure Handling for Pandas DataFrames☆34Feb 6, 2023Updated 3 years ago
- Python bindings for libcommute☆12Sep 5, 2026Updated last month
- A program for the analysis of NMR data.☆31Jun 23, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- nmrML is an open mark-up language for NMR data. This is the official repository for development of the nmrML schema and NMR ontology.☆34Mar 27, 2025Updated last year
- Simmate: a full-stack framework for chemistry research.☆37Updated this week
- POKY ain't poky! POKY is a next generation software suite for the integrated and automated NMR data analysis and structure calculation.☆11Sep 24, 2026Updated last month
- Pytorch implementation of a message passing neural network with RNN sub-units☆14Jul 25, 2024Updated 2 years ago
- Claude (and Codex) for Research: Beyond the Chatbot☆17Oct 26, 2026Updated last week
- Mobile NMR Relaxometry Platform☆12May 4, 2023Updated 3 years ago
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 3 years ago