A brain for self-driving laboratories
☆47May 21, 2025Updated 10 months ago
Alternatives and similar repositories for atlas
Users that are interested in atlas are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Golem: an algorithm for robust experiment and process optimization☆18Mar 8, 2021Updated 5 years ago
- Olympus: a benchmarking framework for noisy optimization and experiment planning☆96Nov 24, 2024Updated last year
- scalable multi-fidelity machine learning☆10Jul 16, 2021Updated 4 years ago
- A Library for Gaussian Processes in Chemistry☆250Oct 11, 2024Updated last year
- Probing the limitations of multimodal language models for chemistry and materials research☆23Feb 1, 2026Updated last month
- 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.
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆11Nov 17, 2023Updated 2 years ago
- ☆60Mar 14, 2023Updated 3 years ago
- Common molecule fragments for visualization in Avogadro☆17Feb 6, 2026Updated last month
- Obtain and organize all feasible fragmentation of molecular methods☆35Aug 4, 2023Updated 2 years ago
- ☆19Apr 29, 2024Updated last year
- ChemDataWriter is a transformer-based library for automatically generating research books in the chemistry area.☆13Oct 7, 2023Updated 2 years ago
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Oct 17, 2024Updated last year
- Dandelion - Codes for automated and efficient sampling of chemical reaction space for MLIP training☆24Mar 7, 2025Updated last year
- Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote e…☆26Mar 2, 2026Updated 3 weeks 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.
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆10Sep 23, 2024Updated last year
- Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions☆10Apr 11, 2021Updated 4 years ago
- Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring syste…☆12May 25, 2020Updated 5 years ago
- A curated list of scientific image analysis resources and software tools.☆34Mar 7, 2026Updated 3 weeks ago
- Experimental design and Bayesian optimization library in Python/PyTorch☆56Aug 5, 2024Updated last year
- Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.☆22Mar 17, 2026Updated last week
- Bayesian optimization for chemistry☆19Mar 20, 2024Updated 2 years ago
- ☆29Nov 4, 2024Updated last year
- 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
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Digital Twin for Robotics-Assisted Chemistry Lab Automation☆28Feb 9, 2026Updated last month
- Multimodal aid for mining of chemical reactions from PDFs☆36Jun 25, 2025Updated 9 months ago
- Crystallography Companion Agent☆21Jul 8, 2022Updated 3 years ago
- Bayesian Optimization and Design of Experiments☆442Mar 20, 2026Updated last week
- Molar is a database management to make it easy to store experiment whether computational or not☆11Jul 15, 2022Updated 3 years ago
- Benchmarking human and machine learning performance.☆34Jun 9, 2020Updated 5 years ago
- This Python package is designed for mapping the solution space of machine learning models. An understanding of the organisation of the so…☆22Sep 18, 2025Updated 6 months ago
- ☆53Jul 13, 2022Updated 3 years ago
- Especially useful for preprocessing of datasets like Raman spectra, infrared spectra, UV/Vis spectra, but also HPLC data and many other t…☆21Apr 14, 2025Updated 11 months 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.
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆38Updated this week
- Program package for the quantum mechanical calculation of EI mass spectra using automated reaction network exploration☆23Sep 5, 2025Updated 6 months ago
- CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles☆34Mar 16, 2026Updated last week
- ☆15Oct 18, 2024Updated last year
- Experimental Design via Bayesian Optimization☆169Apr 23, 2022Updated 3 years ago
- This package will help you perform a multiple minumum Monte Carlo conformer search as described in Chang et al., 1989. It is built to be …☆32Mar 9, 2026Updated 2 weeks ago
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆12Feb 19, 2025Updated last year