Lists (8)
Stars
ClearML - Auto-Magical CI/CD to streamline your AI workload. Experiment Management, Data Management, Pipeline, Orchestration, Scheduling & Serving in one MLOps/LLMOps solution
A toolkit to manipulate batch tasks with command line. Designed for scientific computing community.
Training and evaluating machine learning models for atomistic systems.
A delightful community-driven framework for managing your bash configuration, and an auto-update tool so that makes it easy to keep up with the latest updates from the community.
A toolkit featured artificial intelligence × ab initio for computational chemistry research.
BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simulations.
Repository containing data and code for finetuned models for ice polymorphs
machine learning interatomic potentials aiida plugin
DeePMD-kit plugin for various graph neural network models
Python implementation of the string method to compute the minimum energy path between two points on any 2-dimensional energy landscape.
MACE foundation models (MP, OMAT, Matpes)
Writing Resume with Markdown, Supports deploy to Vercel, Netlify, Cloudflare. 使用 Markdown 编写简历，支持部署到 Vercel、Netlify 和 Cloudflare。
I have created this project as a part of virtual internship programme offered by LetsGrowMore in data Science.
Open Overleaf/ShareLaTex projects in vscode, with full collaboration support.
Various TeX templates, including slides and posters.
Tips for Writing a Research Paper using LaTeX
The world’s fastest framework for building websites.
Browser Extension to Sync Video Playback on All Video Platforms / 一起看视频浏览器插件，兼容所有平台
Cleanthesis LaTeX template following Sorbonne Université rules
A simple walkthrough and template for NEB runs on VASP.
A collection of LaTeX templates in English/Chinese, with VS Code settings for LaTeX Workshop.
Jupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkali Superionic Conductors"
Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
atomate2 is a library of computational materials science workflows
lsmo-epfl / zeopp-lsmo
Forked from mharanczyk/zeopluspluszeo++ fork of the LSMO