n0w0f Goto Github PK

awesome-inverse-material-design

Comprehensive collection of literature, resources and tools showcasing the implementation of inverse design of material

chemnlp

ChemNLP project (contribute data)

defectgen

This project is to enumerate structure with defects

demos

dev-mastery

This repository hosts a collection of hands-on exercises, mini-projects, and resources aimed at sharpening web development skills.

dft-book

A book on modeling materials using VASP, ase and vasp

e3nn

A modular framework for neural networks with Euclidean symmetry

generative-ai-for-beginners

18 Lessons, Get Started Building with Generative AI 🔗 https://microsoft.github.io/generative-ai-for-beginners/

git-command-guide

:orange_book: A git command guide

git-tutorials-noobies

Git & GitHub Cheat sheet.

gt4sd-core

GT4SD, an open-source library to accelerate hypothesis generation in the scientific discovery process.

hands-on-transformers

codes, notebooks, resources on implementing, training, pretraining, finetuning transformers.

kcfcpp

C++ Implementation of KCF Tracker

labutil

Lab materials for MIT 3.320 and Harvard AP 275 courses on atomistic modeling

lammps

Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.

markdown-cv

a simple template to write your CV in a readable markdown file and use CSS to publish/print it.

matbench_

Matbench: Benchmarks for materials science property prediction

matsciml

Open MatSci ML Toolkit for StructLLM dataprep

nequip

NequIP is a code for building E(3)-equivariant interatomic potentials

nlp_smiles

nomad-dataprep

helper functions to prepare nomad datasets with nomad api

pytorchgeometrictutorial

Pytorch Geometric Tutorials

qm9_dataprep

parse qm9 dataset to different formats

regression-transformer

Regression Transformer for slice based models

robocrystallographer

Automatic generation of crystal structure descriptions.

spectra_ai

AI app to predict Absorption spectra of a material

superionic_ai

A computational workflow for screening superionic conductors

superionic_ai_flyte

A computational workflow for screening superionic conductors managed by flyte