Alternatives and similar repositories for litdb

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

• gicrisf / tochemfig
  Make Emacs write chemfig code from molfile or SMILES.
  ☆10Updated 7 months ago
• jkitchin / literature-alerts
  ☆10Updated this week
• ulissigroup / wherewulff
  WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions
  ☆32Updated last year
• aspuru-guzik-group / Beyond-Molecular-Structure-ML-for-OPV-Materials-Devices
  ☆14Updated last year
• aspuru-guzik-group / atlas
  A brain for self-driving laboratories
  ☆38Updated 2 weeks ago
• jkitchin / s24-06642
  Spring 2024 - Data Science and Machine Learning in Chemical Engineering
  ☆11Updated last year
• learningmatter-mit / atom_by_atom
  Atom-by-atom design of metal oxide catalysts for the oxygen evolution reaction with Machine Learning
  ☆10Updated last year
• zadorlab / PESViewer
  Depiction of Potential Energy Surfaces
  ☆12Updated 7 months ago
• pyiron / pylammpsmpi
  Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
  ☆33Updated this week
• atomisticnet / xas-tools
  Tools related to X-ray absorption spectroscopy (XAS)
  ☆19Updated 11 months ago
• zincware / rdkit2ase
  Create atomistic structures with ASE, rdkit and packmol
  ☆12Updated this week
• CurtisColwell / StrainViz
  Strain Visualization for Inherently Strained Organic Molecules
  ☆23Updated 2 years ago
• materials-data-facility / llm-resources
  ☆20Updated last year
• materials-data-facility / llm-hackathon
  ☆9Updated last year
• bkoz37 / labutil
  Lab materials for MIT 3.320 and Harvard AP 275 courses on atomistic modeling
  ☆16Updated 4 years ago
• corinwagen / pymsym
  molecular point group symmetry lib
  ☆11Updated 5 months ago
• pylada / pylada
  High-Throughput Computational Physics Framework
  ☆12Updated 7 years ago
• digital-chemistry-laboratory / coulson
  Python code for Hückel and Pariser-Parr-Pople molecular orbital theory
  ☆15Updated last year
• lamalab-org / llm-tutorial
  Tutorial on LLMs and agents
  ☆19Updated 11 months ago
• janosh / dielectrics
  Pushing the Pareto front of band gap and permittivity with ML-guided dielectric materials discovery incl. experimental synthesis and char…
  ☆10Updated 2 weeks ago
• metatensor / metatrain
  Training and evaluating machine learning models for atomistic systems.
  ☆32Updated this week
• lamalab-org / mofdscribe
  An ecosystem for digital reticular chemistry
  ☆48Updated 8 months ago
• lanl / Architector
  The architector python package - for 3D metal complex design. C22085
  ☆54Updated last week
• WilmerLab / mofun
  ☆22Updated 2 years ago
• Open-Catalyst-Project / om-data
  ☆14Updated last week
• Future-House / ether0
  A scientific reasoning model, dataset, and reward functions for chemistry.
  ☆29Updated this week
• enze-chen / mi-book-2022
  Jupyter Book source files for 2022 MSD summer research internship.
  ☆13Updated last year
• lab-cosmo / atomistic-cookbook
  A collection of simulation recipes for the atomic-scale modeling of materials and molecules
  ☆23Updated this week
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated 11 months ago
• ViktoriiaBaib / curvedataextraction
  Automated curve data extraction tool
  ☆12Updated 2 years ago