AccelerationConsortium / ac-microcoursesLinks
Microcourses hosted by the Acceleration Consortium for self-driving lab topics.
☆31Updated last month
Alternatives and similar repositories for ac-microcourses
Users that are interested in ac-microcourses are comparing it to the libraries listed below
Sorting:
- A graph database tool for experimental data in materials science and chemistry.☆19Updated 7 months ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Updated 9 months ago
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- ☆26Updated 9 months ago
- ☆20Updated last year
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Updated 4 months ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆54Updated 3 months ago
- open data sets for machine learning pertaining to porous materials☆27Updated last year
- A software for automating materials science computations☆31Updated 2 months ago
- A fully featured ASE calculator for xTB☆21Updated 10 months ago
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆44Updated last year
- ☆17Updated 5 months ago
- An ecosystem for digital reticular chemistry☆49Updated 11 months ago
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆27Updated last year
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆18Updated last year
- An overview over chemical datasets and where to find them☆17Updated 2 years ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆21Updated 4 years ago
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆58Updated last month
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆25Updated 6 months ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆20Updated 4 months ago
- Jupyter Book source files for 2022 MSD summer research internship.☆13Updated 2 years ago
- Vote on whether you think predicted crystal structures could be synthesised☆18Updated last year
- A Pymatgen IO module for setting up OpenMM simulations.☆11Updated 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 last year
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆45Updated last month
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆31Updated 11 months ago
- ☆11Updated 5 months ago
- Tools for machine learnt interatomic potentials☆33Updated 2 weeks ago
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆20Updated 3 months ago