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. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Optimising chemical reactions using machine learning☆145Sep 3, 2024Updated last year
- Accelerating Bayesian reaction optimization with limited data☆13Aug 5, 2023Updated 2 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
- This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.☆13Feb 22, 2022Updated 4 years ago
- ⚙️🐺 Robotic chemistry made easy☆32Mar 1, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆10Jun 16, 2020Updated 5 years ago
- ☆29Jan 16, 2026Updated 3 months ago
- Python module for parsing, writing, aligning, and manipulating glycan structrures☆10Apr 16, 2026Updated 2 weeks ago
- ☆11Jun 11, 2025Updated 10 months ago
- Reinforcement learning for batch bioprocess optimization (Computers & Chemical Engineering, 2020)☆16Jun 14, 2022Updated 3 years ago
- Repository containing a benchmark dataset for machine learning property prediction of photoswitch molecules: https://pubs.rsc.org/en/cont…☆91Mar 12, 2023Updated 3 years ago
- Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.☆10Feb 14, 2023Updated 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
- Fast Numba-enabled CPU and GPU computations of Earth Mover's (scipy.stats.wasserstein_distance) and Euclidean distances.☆18Jan 3, 2025Updated last year
- 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.
- Real-time laboratory automation and monitoring in Python.☆23Feb 8, 2023Updated 3 years ago
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆82May 11, 2025Updated 11 months ago
- Converts CDX and CDXML from and to CML☆12Apr 14, 2026Updated 3 weeks 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
- Prediction of pKa from chemical structure using machine learning approaches，molecular similarity and so on☆25Jun 17, 2024Updated last year
- ☆24Aug 24, 2023Updated 2 years ago
- Automagically resolve the best structure for molecules across several databases from identifiers☆45Apr 22, 2026Updated 2 weeks ago
- ☆19Apr 29, 2024Updated 2 years ago
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- 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.
- A Python tool for creating and downsampling chemical pointclouds.☆13Apr 18, 2025Updated last year
- This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.☆20Aug 30, 2022Updated 3 years ago
- R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)☆15Jan 22, 2019Updated 7 years ago
- Molecular Property Prediction using GP with a SOAP kernel☆21Nov 16, 2020Updated 5 years ago
- Image-Based Mesh Generation☆13Apr 7, 2024Updated 2 years ago
- Smart Stirrer☆11Aug 17, 2020Updated 5 years ago
- Bayesian optimization with conformal coverage guarantees☆29Oct 28, 2022Updated 3 years ago
- Heteroscedastic Bayesian Optimisation in Numpy☆24Feb 15, 2023Updated 3 years ago
- Crypto ticker and graph for the Pimoroni InkyPHAT display☆10Feb 27, 2024Updated 2 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.
- Ordered Preference Elicitation Strategies for Multi-Objective Decision Making using Gaussian Processes☆22Jul 25, 2018Updated 7 years ago
- An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)☆10Dec 17, 2022Updated 3 years ago
- Guarantees on the behavior of neural networks don't always have to come at the cost of performance.☆30Oct 12, 2022Updated 3 years ago
- Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)☆76May 19, 2024Updated last year
- Chemical library developed using OpenModelica for steady-state and dynamic process simulation☆45Dec 10, 2025Updated 4 months ago
- Posterior Refinement Improves Sample Efficiency in Bayesian Neural Networks☆10Oct 21, 2022Updated 3 years ago
- Library for calculating exact ligand cone angles☆14Aug 21, 2022Updated 3 years ago