Chemios Framework 👨🏾🔬: Accelerating Science through Automation
☆36Dec 10, 2021Updated 4 years ago
Alternatives and similar repositories for chemios
Users that are interested in chemios are comparing it to the libraries listed below
Sorting:
- Optimising chemical reactions using machine learning☆141Sep 3, 2024Updated last year
- ☆29Jan 16, 2026Updated last month
- This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.☆13Feb 22, 2022Updated 4 years ago
- The goal of the UDM project is to create and publish an open, extendable and freely available data format for exchange of experimental i…☆21Sep 20, 2021Updated 4 years ago
- High-throughput droplet microfluidic devices with fluorescence detection systems provide several advantages over conventional end-point c…☆12Mar 6, 2019Updated 7 years ago
- Converts CDX and CDXML from and to CML☆12Feb 17, 2024Updated 2 years ago
- ☆11Jun 11, 2025Updated 8 months ago
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- ☆10Jun 16, 2020Updated 5 years ago
- Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.☆10Feb 14, 2023Updated 3 years ago
- An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)☆10Dec 17, 2022Updated 3 years ago
- Illustrating how to publish battery data☆13May 27, 2025Updated 9 months ago
- Accelerating Bayesian reaction optimization with limited data☆11Aug 5, 2023Updated 2 years ago
- Reinforcement learning for batch bioprocess optimization (Computers & Chemical Engineering, 2020)☆15Jun 14, 2022Updated 3 years ago
- The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision …☆11Jul 15, 2020Updated 5 years ago
- A Python 3 class for communication with serial devices such as hotplate stirrers, vacuum pumps etc.☆12Jun 16, 2021Updated 4 years ago
- Use convolutional neural net to detect segment and classify material phases and vessels in chemistry lab and other setting involving mate…☆28Oct 8, 2021Updated 4 years ago
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆79May 11, 2025Updated 9 months ago
- Python binding for Citrine's GEMD data model☆13Updated this week
- ML benchmarking and pipeling framework☆15Oct 28, 2025Updated 4 months ago
- Modifications of Scipy's implicit solvers for the solution of differential-algebraic equations (DAEs)☆15Dec 26, 2025Updated 2 months ago
- ⚙️🐺 Robotic chemistry made easy☆32Mar 1, 2023Updated 3 years ago
- Simulator for typical process/chemical/refinery engineering applications with rigorous thermodynamics.☆15Dec 14, 2023Updated 2 years ago
- This repository contains the training routines and the experiments presented in the paper "Graph Neural Networks for the prediction of in…☆13Jul 12, 2023Updated 2 years ago
- Repository containing a benchmark dataset for machine learning property prediction of photoswitch molecules: https://pubs.rsc.org/en/cont…☆89Mar 12, 2023Updated 2 years ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Nov 18, 2024Updated last year
- Offline GitHub Issues Client☆20Feb 23, 2017Updated 9 years ago
- PHP/MySQL-based chemical inventory/Electronic Lab Notebook for chemistry☆13Jul 11, 2024Updated last year
- The Core Scientific Dataset Model (CSDM): A versatile and light-weight file-format for scientific datasets.☆18Dec 10, 2025Updated 2 months ago
- Probing the limitations of multimodal language models for chemistry and materials research☆23Feb 1, 2026Updated last month
- Library for calculating exact ligand cone angles☆14Aug 21, 2022Updated 3 years ago
- Sequential Learning App for Materials Discovery ("SLAMD") - Web Version☆21Apr 2, 2025Updated 11 months ago
- R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)☆15Jan 22, 2019Updated 7 years ago
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆13Oct 4, 2024Updated last year
- ☆17Mar 24, 2025Updated 11 months ago
- Tools to control Arduino boards seamlessly from Python☆18Jul 28, 2023Updated 2 years ago
- Fast Numba-enabled CPU and GPU computations of Earth Mover's (scipy.stats.wasserstein_distance) and Euclidean distances.☆18Jan 3, 2025Updated last year
- Simulations primarily directed toward education, specifically developing intuition about how electrochemical systems behave.☆20Feb 19, 2021Updated 5 years ago
- Python package for laboratory automation, control, and experimentation☆32May 27, 2025Updated 9 months ago