This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the crystal grains of the inorganic salts formed during the SEI's reaction.
☆13Apr 27, 2026Updated last week
Alternatives and similar repositories for SEI_builder
Users that are interested in SEI_builder are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆29Jun 15, 2021Updated 4 years ago
- A fully featured ASE calculator for xTB☆24Oct 21, 2024Updated last year
- A codebase for classical molecular dynamics (MD) simulation setup and results analysis.☆26Feb 5, 2024Updated 2 years ago
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆15Apr 27, 2026Updated last week
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆22Apr 30, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆12Feb 2, 2024Updated 2 years ago
- Python toolkit for molecular dynamics analysis☆35Apr 29, 2026Updated last week
- A set of utilities and pedagogic notebooks for the use of linear and kernel methods in atomistic modeling☆25Oct 27, 2023Updated 2 years ago
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆16Dec 19, 2025Updated 4 months ago
- ☆23Dec 10, 2024Updated last year
- A standalone library of the GFN-FF method. Extracted in large parts from the xtb program.☆17Apr 26, 2026Updated last week
- materials science related animations☆13Jan 9, 2025Updated last year
- ☆49Jun 15, 2020Updated 5 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- An app for high-throughput analysis of spectra☆13Jan 21, 2025Updated last year
- ☆29Nov 4, 2024Updated last year
- Lammps tutorial: graphene simulations☆35Aug 27, 2020Updated 5 years ago
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 3 years ago
- A Graphene and Graphite Forcefield for LAMMPS☆13Jun 19, 2019Updated 6 years ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Aug 26, 2025Updated 8 months ago
- A Terminal Molecular Viewer Based on Unicode☆127Updated this week
- Executor plugin interfacing Covalent with Slurm☆26Apr 27, 2026Updated last week
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Chemical Data Science and Engineering - University of Toronto☆22Nov 21, 2025Updated 5 months ago
- A program to automatically perform microkinetic modeling and generate microkinetic volcano plots for homogeneous catalysis reactions usin…☆15Apr 24, 2026Updated last week
- Executor plugins interfacing Covalent with various AWS compute platforms☆17Apr 13, 2026Updated 3 weeks ago
- Simmate: a full-stack framework for chemistry research.☆38Updated this week
- Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)☆21Apr 27, 2026Updated last week
- Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote e…☆27Apr 13, 2026Updated 3 weeks ago
- 高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）☆13Aug 23, 2021Updated 4 years ago
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆36Jul 18, 2020Updated 5 years ago
- A software for automating materials science computations☆36Apr 20, 2026Updated 2 weeks ago
- 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.
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆62Jul 2, 2025Updated 10 months ago
- ☆42Apr 28, 2026Updated last week
- Statistical Mechanics on Lattices☆96Updated this week
- A simple workflow for minimum energy conformer search based on force field optimization methods (UFF and MMFF94) available from RDKit.☆13May 29, 2020Updated 5 years ago
- Real time molecular dynamics in the browser using LAMMPS☆73Apr 21, 2026Updated 2 weeks ago
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆11Oct 4, 2024Updated last year
- ☆18Jul 29, 2024Updated last year