Alternatives and similar repositories for LLM_Hackathon_2024

Users that are interested in LLM_Hackathon_2024 are comparing it to the libraries listed below

• neo-chem / awesome-chemical-data
  Curated list of known efforts in collecting and/or curating of chemical/materials data
  ☆21Updated 4 years ago
• materials-data-facility / llm-resources
  ☆20Updated last year
• enze-chen / mi-book-2022
  Jupyter Book source files for 2022 MSD summer research internship.
  ☆13Updated last year
• janosh / dielectrics
  Pushing the Pareto front of band gap and permittivity with ML-guided dielectric materials discovery incl. experimental synthesis and char…
  ☆10Updated last month
• 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 7 months ago
• espottesmith / MPcat
  An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…
  ☆13Updated last year
• aimat-lab / ChemMatData
  An overview over chemical datasets and where to find them
  ☆17Updated last year
• qcscine / puffin
  ☆12Updated 9 months ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 2 years ago
• zadorlab / PESViewer
  Depiction of Potential Energy Surfaces
  ☆14Updated 8 months ago
• lcmd-epfl / cell2mol
  ☆26Updated 2 weeks ago
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated last year
• uiocompcat / HyDGL
  Python parser for generating descriptive graphs from Natural Bond Orbital data ready for use in Graph Neural Networks.
  ☆12Updated 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 8 months ago
• WMD-group / MLFF
  A collection of files related to machine learning force fields
  ☆21Updated last year
• materials-data-facility / llm-hackathon
  ☆9Updated last year
• blokhin / materials-informatics-tutorial
  A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data
  ☆16Updated 8 months ago
• ml-evs / this-material-does-not-exist
  Vote on whether you think predicted crystal structures could be synthesised
  ☆18Updated 10 months ago
• deepmaterials / slmat
  SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27
  ☆20Updated last month
• bafgreat / mofstructure
  A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…
  ☆19Updated 2 months ago
• corinwagen / pymsym
  molecular point group symmetry lib
  ☆11Updated 6 months ago
• ulissigroup / wherewulff
  WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions
  ☆32Updated last year
• sudarshanv01 / coeffnet
  Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.
  ☆10Updated last year
• TRI-AMDD / htp_md
  Shared repo for trajectory analysis and infrastructure development
  ☆19Updated last year
• Andrew-S-Rosen / xtb_ase
  A fully featured ASE calculator for xTB
  ☆20Updated 8 months ago
• tobacco-mofs / tobacco_1.0
  ☆17Updated 7 years ago
• hasan-sayeed / RAGSkeleton
  RAGSkeleton: A foundational, modular framework for building customizable Retrieval-Augmented Generation (RAG) systems across any domain.
  ☆12Updated 2 months ago
• mir-group / allegro-pol
  ☆25Updated 2 weeks ago
• molmd / mispr
  A software for automating materials science computations
  ☆30Updated last week