CederGroupHub / alabosLinks
AlabOS: Managing the workflows in the Autonomous lab
☆46Updated 3 months ago
Alternatives and similar repositories for alabos
Users that are interested in alabos are comparing it to the libraries listed below
Sorting:
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆45Updated last year
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆37Updated 2 years ago
- An ecosystem for digital reticular chemistry☆51Updated last year
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆26Updated 3 years ago
- ☆19Updated 8 years ago
- ☆21Updated 5 years ago
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆65Updated 3 weeks ago
- Deep learning framework for atomistic image data☆34Updated 2 months ago
- Basic sanity checks for MOFs.☆32Updated 2 years ago
- The architector python package - for 3D metal complex design. C22085☆71Updated 2 months ago
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆96Updated last month
- ☆27Updated last year
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆28Updated 4 years ago
- ☆31Updated 2 years ago
- Agent-based sequential learning software for materials discovery☆63Updated last year
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆55Updated 2 months ago
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆27Updated last year
- datalab is a place to store experimental data and the connections between them.☆74Updated this week
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated 2 weeks ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆23Updated 7 months ago
- ☆18Updated 2 years ago
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- Code for automated fitting of machine learned interatomic potentials.☆129Updated this week
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆61Updated last week
- Moment Invariants Local Atomic Descriptor☆33Updated last year
- A software for automating materials science computations☆33Updated 3 weeks ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆32Updated last year
- Python package to interact with high-dimensional representations of the chemical elements☆46Updated last week