The ComBat Database: A database of quantum-chemical and molecular dynamics properties for Li-S electrolytes.
☆13Apr 15, 2023Updated 3 years ago
Alternatives and similar repositories for combat
Users that are interested in combat are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A software for automating materials science computations☆41Aug 25, 2026Updated last month
- A Python package for LAMMPS analysis tools☆18Mar 27, 2025Updated last year
- BatteryBERT: A Pre-trained Language Model for Battery Database Enhancement☆37Sep 6, 2022Updated 4 years ago
- Python scripts used for the paper "Tuning MXenes towards their Use in Photocatalytic Water Splitting", published in EEM.☆16Nov 15, 2023Updated 2 years ago
- Official Implementation of Expressivity and Generalization: Fragment-Biases for Molecular GNNs☆20Nov 6, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆11Aug 31, 2024Updated 2 years ago
- Solv@TUM - The Solvation Free Energy Database☆15Mar 31, 2024Updated 2 years ago
- Polarisable force field for ionic liquids☆10Apr 27, 2021Updated 5 years ago
- Some basic battery cell models written in Julia☆25Aug 27, 2021Updated 5 years ago
- A wrapper for Multiwfn (Linux) written in bash.☆11Sep 10, 2019Updated 7 years ago
- Get started with Cactus x Google DeepMind x Y Combinator - Gemma 4 Voice Agents☆16Apr 19, 2026Updated 5 months ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆58Jul 30, 2026Updated 2 months ago
- Official Implementation of the Paper "MAGNet: Motif-Agnostic Generation of Molecules from Shapes"☆16Nov 25, 2023Updated 2 years ago
- Spring 2023 seminar on automated experiment☆22Jun 12, 2023Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Solvent accessible surface area calculation☆21Mar 12, 2025Updated last year
- Dynamic Radii Adjustment for COntinuum Solvation☆19Aug 22, 2025Updated last year
- ☆18Jul 6, 2023Updated 3 years ago
- ☆17Jun 27, 2021Updated 5 years ago
- An FEM code for battery-related physics☆14Feb 19, 2026Updated 7 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆32Aug 5, 2020Updated 6 years ago
- User-friendly Freeware for Determining the Concentration of Electrolyte Components in Lithium-Ion Cells Using Fourier Transform Infrared …☆15Dec 8, 2022Updated 3 years ago
- In this repository, I share some useful resources that you should know before pursuing your Master's or Ph.D. degree.☆24Jan 12, 2025Updated last year
- Robochem version 1.0☆17Jun 6, 2024Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Julia-based framework for battery modelling☆16Jul 8, 2026Updated 3 months ago
- Codex-native harness with reusable agents, persistent multi-agent orchestration, and communication logs.☆59Sep 24, 2026Updated 3 weeks ago
- Python script to scrape PubChem for chemical uses.☆18Apr 24, 2019Updated 7 years ago
- A C++ framework for writing reactor programs☆28Jan 23, 2026Updated 8 months ago
- scientific python wrapped in a clean web coat☆21Mar 17, 2026Updated 7 months ago
- Hückel model + JAX☆14Oct 13, 2022Updated 4 years ago
- Parse a SDF file and convert it to an array of objects☆11May 25, 2026Updated 4 months ago
- Equivariant GNN for the prediction of atomic multipoles up to quadrupoles.☆30May 12, 2022Updated 4 years ago
- 一年过去了，你在白鲸食堂里花的钱都花在哪儿了？☆26Dec 23, 2024Updated last year
- AI Agents on 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.
- Graph neural network for predicting energy of known and hypothetical crystal structures☆10Jan 26, 2022Updated 4 years ago
- Official Repository of "Can Large Language Models Analyze Graphs like Professionals? A Benchmark, Datasets and Models". NeurIPS 2024☆35Feb 20, 2025Updated last year
- This repository is a package to provide SAIT Machine Learning Force Field(MLFF) Framework☆40Oct 25, 2023Updated 2 years ago
- Extended conductor-like polarizable continuum solvation model☆26Aug 24, 2026Updated last month
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆24Mar 3, 2023Updated 3 years ago
- ☆25May 19, 2022Updated 4 years ago
- AI 에이전트가 PowerPoint에서 진짜 편집되는 네이티브 PPTX를 만드는 워크플로우☆289Sep 30, 2026Updated 2 weeks ago