LLM-powered agents for scientific research automation
☆46Mar 3, 2026Updated this week
Alternatives and similar repositories for SciLink
Users that are interested in SciLink are comparing it to the libraries listed below
Sorting:
- ☆23Nov 2, 2024Updated last year
- ☆17Apr 29, 2024Updated last year
- A new python package to visualize molecules in dots hover☆13Feb 15, 2024Updated 2 years ago
- Chemical Data Science and Engineering - University of Toronto☆22Nov 21, 2025Updated 3 months ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Aug 26, 2025Updated 6 months ago
- Spring 2024 - Data Science and Machine Learning in Chemical Engineering☆12Feb 14, 2024Updated 2 years ago
- The core of the SEAMM environment and graphical interface.☆14Feb 26, 2026Updated last week
- Bayesian optimization for chemistry☆19Mar 20, 2024Updated last year
- Learning Machine Learning☆13Aug 24, 2023Updated 2 years ago
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated 11 months ago
- unimol_tools: a easy-use & auto-ml molecule property prediction tool☆26Oct 30, 2025Updated 4 months ago
- Tools for machine learnt interatomic potentials☆44Updated this week
- This repository contains the official PyTorch implementation of MatRIS.☆27Nov 7, 2025Updated 4 months ago
- Chemical intuition for surface science in a package.☆53Feb 25, 2026Updated last week
- Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim☆82Jul 14, 2025Updated 7 months ago
- ☆21Jun 2, 2024Updated last year
- Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.☆22Updated this week
- Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and comman…☆121Feb 8, 2026Updated last month
- Fully and Partially Bayesian Neural Nets☆81Apr 30, 2025Updated 10 months ago
- code for "Universal Functional Regression with Neural Operator Flows" TMLR 2024☆20Jun 19, 2025Updated 8 months ago
- Materials for "AI for Atoms: How to Machine Learn STEM" Workshop☆18Dec 10, 2020Updated 5 years ago
- Phonons from ML force fields☆23Jul 7, 2025Updated 8 months ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Dec 8, 2020Updated 5 years ago
- A tool for generating unique ordered structures corresponding to a given disordered structure.☆17Dec 28, 2023Updated 2 years ago
- ☆22Nov 18, 2023Updated 2 years ago
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆21Feb 4, 2026Updated last month
- Materials for ACerS Automated Experiment Course☆20Sep 26, 2025Updated 5 months ago
- Generate symmetrized force constants☆26Updated this week
- Design space subset estimation using Bayesian algorithm execution with sklearn GP models☆25Nov 3, 2024Updated last year
- Dandelion - Codes for automated and efficient sampling of chemical reaction space for MLIP training☆24Mar 7, 2025Updated last year
- A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities☆91Jan 19, 2026Updated last month
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆35Feb 11, 2026Updated 3 weeks ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆30Jan 29, 2026Updated last month
- A software for automating materials science computations☆33Oct 22, 2025Updated 4 months ago
- Gaussian Processes for Experimental Sciences☆233Jul 4, 2025Updated 8 months ago
- A template for Python packages. Developed by the @quantum-accelerators☆64Mar 2, 2026Updated last week
- The Wren sits on its Roost in the Aviary.☆61Jan 6, 2026Updated 2 months ago
- datalab is a place to store experimental data and the connections between them.☆74Updated this week
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Feb 17, 2023Updated 3 years ago