JaGeo

JaGeo's Stars

• kevingreenman/awesome-chemical-engineering-education

  A curated list of online chemical engineering education resources

  12516

• TileDB-Inc/TileDB

  The Universal Storage Engine

  Language:C++1.9k185

• msiemens/tinydb

  TinyDB is a lightweight document oriented database optimized for your happiness :)

  Language:Python6.8k540

• edgarsmdn/MLCE_book

  Hands-on material for a Machine Learning in Chemical Engineering course

  Language:Jupyter Notebook8720

• JakeI/xkcd_style

  Give a XKCD style to any pixel graphic

  Language:Python32

• darwin/cmx.js

  [prototype] A library/markup for building xkcd-style comic strips

  Language:JavaScript79389

• JaGeo/Advanced_Jobflow_Tutorial

  This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational materials science

  Language:Jupyter Notebook174

• nxtloveev3/NBO-Parser

  Development of smart output parsers for quantum chemistry calculations involving transition metal complexes using python.

  Language:Python21

• WMD-group/PDynA

  Python package to analyse the structural dynamics of perovskites

  Language:Python332

• Quantum-Accelerators/.github

  The GitHub profile of the Rosen Research Group

  2

• usccolumbia/materialsUQ

  Uncertainty Quantification for Materials Property Prediction: a Benchmark Study

  Language:Python143

• excalidraw/excalidraw

  Virtual whiteboard for sketching hand-drawn like diagrams

  Language:TypeScript83.8k7.9k

• SINGROUP/matid

  MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers in the automated analysis and labeling of atomistic datasets.

  Language:Python236

• janosh/elementari

  Interactive browser visualizations for materials science: periodic tables, 3d crystal structures, Bohr atoms, nuclei, heatmaps, scatter plots.

  Language:TypeScript13612

• mcsorkun/ChemPlot

  A python package for chemical space visualization.

  Language:Jupyter Notebook11331

• msg-byu/enumlib

  Derivative structure enumeration library

  Language:Roff5934

• modularml/mojo

  The Mojo Programming Language

  Language:Mojo23.2k2.6k

• AccelerationConsortium/awesome-self-driving-labs

  A community-curated list of resources related to self-driving labs which combine hardware automation and artificial intelligence to accelerate scientific discovery.

  Language:TeX12019

• mfherbst/julia-for-materials

  Material of the seminar "Julia for Materials Modelling"

  Language:Julia302

• scikit-learn-contrib/scikit-matter

  A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities

  Language:Python7620

• practical-nlp/practical-nlp-code

  Official Repository for Code associated with 'Practical Natural Language Processing' book by O'Reilly Media

  Language:Jupyter Notebook1.3k604

• afonari/emc

  Effective Mass Calculator for Semiconductors

  Language:Python10259

• acammarat/phtools

  Pre- and post-processing tools for phonon-based calculations

  Language:Fortran61

• rnels12/LOBSTERWF2XSF

  generates xsf-format files from lobster 3D-wavefunctions files

  Language:C++6

• usnistgov/jarvis_leaderboard

  A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w

  Language:Jupyter Notebook5944

• jackbaker1001/ase-phonopy

  Perform Phonopy calculations using all of the calculators available in ASE.

  3

• uiocompcat/HyDGL

  Python parser for generating descriptive graphs from Natural Bond Orbital data ready for use in Graph Neural Networks.

  Language:Python72

• raghurama123/DataScience

  Contains Jupyter notebooks and other materials prepared for the course Introduction to Data Science offered at TIFR Hyderabad (https://moldis-group.github.io/teaching.html)

  Language:Jupyter Notebook43

• raghurama123/DataScience2023

  Contains Jupyter notebooks and other materials prepared for the course Introduction to Data Science

  Language:Jupyter Notebook12

• dean0x7d/pybinding

  Scientific Python package for tight-binding calculations in solid state physics

  Language:C++18869