Alternatives and similar repositories for litdb

Users that are interested in litdb are comparing it to the libraries listed below

• jkitchin / literature-alerts
  ☆12Updated last month
• pylada / pylada
  High-Throughput Computational Physics Framework
  ☆13Updated 8 years ago
• jkitchin / dft-course
  Course repository for 06-640 - Molecular simulation
  ☆25Updated 13 years ago
• fxcoudert / tools
  Tools and scripts I wrote and regularly use
  ☆75Updated 3 years ago
• superstar54 / blase
  Python module for drawing and rendering ASE (Atomic Simulation Environment) atoms and molecules objects using blender.
  ☆13Updated 3 years ago
• aspuru-guzik-group / Beyond-Molecular-Structure-ML-for-OPV-Materials-Devices
  ☆14Updated last year
• usnistgov / intermat
  Project to setup and analyze interface calculations using density functional theory.
  ☆23Updated 3 months ago
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆35Updated 3 years ago
• jkitchin / s20-06681
  Data science and machine learning in chemical engineering
  ☆25Updated 5 years ago
• radi0sus / orca_ir
  Plots IR spectra from from ORCA output files
  ☆22Updated last year
• WardLT / applied-ai-for-materials
  Course materials for "Applied AI for Materials Science and Engineering"
  ☆69Updated 3 years ago
• danieleongari / awesome-design-of-experiments
  Curated list of resources for the Design of Experiments (DOE)
  ☆37Updated last year
• aspuru-guzik-group / atlas
  A brain for self-driving laboratories
  ☆45Updated 7 months ago
• atomgptlab / chatgpt_material_explorer
  CME-ChatGPT Material Explorer
  ☆23Updated 5 months ago
• corinwagen / pymsym
  molecular point group symmetry lib
  ☆13Updated last year
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆47Updated last week
• jkitchin / pycse
  Python computations in science and engineering
  ☆267Updated this week
• jaapkroe / polypy
  polygon (ring network) discovery from XYZ files
  ☆10Updated 9 years ago
• bruceravel / XAS-Education
  Educational materials for XAS training courses
  ☆24Updated last year
• usnistgov / pyPRISM
  A framework for conducting polymer reference interaction site model (PRISM) calculations
  ☆45Updated 4 years ago
• lantunes / skipatom
  Distributed representations of atoms, inspired by the Skip-gram model
  ☆26Updated 2 years ago
• pyiron / pysqa
  Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
  ☆31Updated this week
• aiidateam / aiida-tutorials
  AiiDA tutorials web site
  ☆24Updated 3 months ago
• hasan-sayeed / RAGSkeleton
  RAGSkeleton: A foundational, modular framework for building customizable Retrieval-Augmented Generation (RAG) systems across any domain.
  ☆14Updated 6 months ago
• Garden-AI / garden
  ☆37Updated 3 weeks ago
• ekwan / PyQuiver
  kinetic isotope effect prediction with Gaussian
  ☆17Updated 2 years ago
• BingqingCheng / Mapping-the-space-of-materials-and-molecules
  ☆12Updated 5 years ago
• pyiron / pylammpsmpi
  Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…
  ☆35Updated this week
• MLMI2-CSSI / foundry
  Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
  ☆85Updated last week
• lcmd-epfl / volcanic
  A program to automatically generate volcano plots for catalysis.
  ☆15Updated last year