empa-scientific-it / python-tutorial

Related projects ⓘ

Alternatives and complementary repositories for python-tutorial

• TomFuller-electrochemistry / Python-Simulations-for-the-Education-of-Electrochemists-and-Electrochemical-Engineers
  Simulations primarily directed toward education, specifically developing intuition about how electrochemical systems behave.
  ☆19Updated 3 years ago
• enze-chen / mi-book-2022
  Jupyter Book source files for 2022 MSD summer research internship.
  ☆12Updated last year
• materials-data-facility / llm-hackathon
  ☆9Updated 7 months ago
• FAU-LAP / NOMAD-CAMELS
  We are developing a configurable measurement software (CAMELS), targeted towards the requirements of experimental solid-state physics. He…
  ☆13Updated this week
• smeerten / ssnake
  A program for the analysis of NMR data.
  ☆21Updated 5 months ago
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆27Updated last year
• BAMresearch / WEBSLAMD
  Sequential Learning App for Materials Discovery ("SLAMD") - Web Version
  ☆21Updated this week
• tcnicholas / chic
  Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…
  ☆12Updated this week
• spectrapepper / spectrapepper
  A Python package for advanced processing and combinatorial analysis of spectroscopy data.
  ☆14Updated 2 months ago
• materials-data-facility / llm-resources
  ☆20Updated 6 months ago
• neo-chem / awesome-chemical-data
  Curated list of known efforts in collecting and/or curating of chemical/materials data
  ☆20Updated 3 years ago
• marda-alliance / metadata_extractors
  A Working Group on connecting and advancing interoperability of efforts on automated extraction of metadata from materials and chemical f…
  ☆14Updated 5 months ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆24Updated 2 years ago
• atomisticnet / xas-tools
  Tools related to X-ray absorption spectroscopy (XAS)
  ☆17Updated 4 months ago
• deepanshs / mrsimulator
  A fast solid-state NMR spectrum simulation and analysis library.
  ☆34Updated this week
• dftd4 / tad-dftd4
  PyTorch Autodiff DFT-D4 Implementation.
  ☆14Updated 3 weeks ago
• src47 / multibax-sklearn
  Design space subset estimation using Bayesian algorithm execution with sklearn GP models
  ☆22Updated 2 weeks ago
• AI-multimodal / Lightshow
  A one-stop-shop for handling data in computational spectroscopy
  ☆14Updated this week
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆44Updated this week
• vikram-sundar / ML4MolEng_Spring2022
  Materials for the course Machine Learning for Molecular Engineering (MIT Spring 2022).
  ☆10Updated 2 years ago
• mturiansky / abcv
  A python-based crystal viewer built upon the fresnel and pymatgen libraries.
  ☆15Updated 6 months ago
• lamalab-org / llm-tutorial
  Tutorial on LLMs and agents
  ☆14Updated 4 months ago
• bjmorgan / python_in_chemistry
  ☆11Updated 3 weeks ago
• rudolphi / open_enventory
  PHP/MySQL-based chemical inventory/Electronic Lab Notebook for chemistry
  ☆10Updated 4 months ago
• RBCanty / MIT_AMD_Platform
  Public code base for the Accelerated Molecular Discovery (AMD) platform
  ☆10Updated last year
• ViktoriiaBaib / curvedataextraction
  Automated curve data extraction tool
  ☆9Updated last year
• hjkgrp / text_mining_tools
  Tools to facilitate NLP of scientific literature
  ☆17Updated 2 years ago
• subblue / applying-maths-book
  Applying Maths in the Chemical and Biomolecular Sciences by Godfrey Beddard
  ☆12Updated this week
• lrgresearch / gpaw-tools
  gpaw-tools is a powerful and user-friendly UI/GUI tool for conducting Density Functional Theory (DFT) and molecular dynamics (MD) calcula…
  ☆23Updated 3 weeks ago