Alternatives and similar repositories for open_enventory

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

• aimat-lab / ChemMatData
  An overview over chemical datasets and where to find them
  ☆17Updated last year
• hasan-sayeed / RAGSkeleton
  RAGSkeleton: A foundational, modular framework for building customizable Retrieval-Augmented Generation (RAG) systems across any domain.
  ☆12Updated 3 weeks ago
• lamalab-org / PolyMetriX
  ☆19Updated 2 weeks ago
• OpenChemistry / molecules
  Common molecule fragments for visualization in Avogadro
  ☆17Updated 5 months ago
• patonlab / pyQRC
  Quick Reaction Coordinate using Python
  ☆39Updated last year
• materials-data-facility / llm-hackathon
  ☆9Updated last year
• eljost / thermoanalysis
  Stand-alone thermochemistry in python for ORCA and Gaussian.
  ☆32Updated 8 months ago
• lcmd-epfl / cell2mol
  ☆26Updated last month
• WilmerLab / mofun
  ☆22Updated 2 years ago
• EPiCs-group / chemspax
  A Python tool for local chemical space exploration of any structure based on their 3D geometry
  ☆13Updated 9 months ago
• bafgreat / mofstructure
  A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…
  ☆19Updated 3 months ago
• olsenlabmit / BigSMILES
  An open-source effort towards accessible polymer data
  ☆35Updated 4 years ago
• Molsim-Group / MOFtextminer
  Text mining synthesis information in metal organic framework
  ☆13Updated 3 years ago
• dralgroup / omni-p2x
  OMNI-P2x: A universal neural network potential for excited states
  ☆10Updated 2 months ago
• dsvatunek / autoDIAS
  autoDIAS: a python tool for an automated Distortion/Interaction Activation Strain Analysis
  ☆17Updated 3 years ago
• tcnicholas / chic
  Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…
  ☆13Updated 8 months ago
• QChASM / SEQCROW
  Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output f…
  ☆28Updated last month
• duartegroup / metallicious
  ☆17Updated 8 months ago
• croningp / pylabware
  A Python 3 class for communication with serial devices such as hotplate stirrers, vacuum pumps etc.
  ☆12Updated 4 years ago
• enze-chen / mi-book-2022
  Jupyter Book source files for 2022 MSD summer research internship.
  ☆13Updated 2 years ago
• deepmaterials / slmat
  SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27
  ☆20Updated 2 months ago
• PistoiaAlliance / UDM
  The goal of the UDM project is to create and publish an open, extendable and freely available data format for exchange of experimental i…
  ☆18Updated 3 years ago
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated last year
• QChASM / AaronTools.py
  Python tools for automating routine tasks encountered when running quantum chemistry computations.
  ☆51Updated last week
• rekumar / labgraph
  A graph database tool for experimental data in materials science and chemistry.
  ☆19Updated 6 months ago
• molmd / mispr
  A software for automating materials science computations
  ☆31Updated last month
• CederGroupHub / alabos
  AlabOS: Managing the workflows in the Autonomous lab
  ☆44Updated this week
• cernaklab / jchemed-chemoinformatics
  ☆11Updated last year
• ShuHuang / chemdatawriter
  ChemDataWriter is a transformer-based library for automatically generating research books in the chemistry area.
  ☆14Updated last year
• uiocompcat / HyDGL
  Python parser for generating descriptive graphs from Natural Bond Orbital data ready for use in Graph Neural Networks.
  ☆13Updated 2 months ago