Alternatives and similar repositories for LLM_Hackathon_2024:

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

• materials-data-facility / llm-resources
  ☆20Updated 8 months ago
• enze-chen / mi-book-2022
  Jupyter Book source files for 2022 MSD summer research internship.
  ☆12Updated last year
• 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 2 months ago
• ulissigroup / wherewulff
  WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions
  ☆28Updated 9 months ago
• BlauGroup / HiPRGen
  ☆21Updated 2 months ago
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆26Updated 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…
  ☆12Updated 9 months ago
• lcmd-epfl / cell2mol
  ☆26Updated last week
• molmd / mispr
  A software for automating materials science computations
  ☆30Updated 6 months ago
• neo-chem / awesome-chemical-data
  Curated list of known efforts in collecting and/or curating of chemical/materials data
  ☆20Updated 4 years ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆25Updated 2 years ago
• learningmatter-mit / alchemical-mlip
  Alchemical machine learning interatomic potentials
  ☆13Updated 2 months ago
• materialsproject / foundation
  ☆17Updated this week
• aronwalsh / MLforMaterials
  Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)
  ☆58Updated last week
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆25Updated 4 months ago
• WMD-group / ElementEmbeddings
  Python package to interact with high-dimensional representations of the chemical elements
  ☆39Updated last week
• WMD-group / MLFF
  A collection of files related to machine learning force fields
  ☆21Updated last year
• stefanbringuier / ORB-LAMMPS-PATCH
  Adds Orb Model functionality to LAMMPS via Python wrapping
  ☆13Updated 2 months ago
• lamalab-org / matextract-book
  ☆33Updated 3 weeks ago
• lrcfmd / LEAF
  Local Environment-based Atomic Features
  ☆11Updated last month
• lab-cosmo / atomistic-cookbook
  A cookbook with recipes for atomic-scale modeling of materials and molecules
  ☆18Updated 3 weeks ago
• lrcfmd / ChemDASH
  Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments
  ☆22Updated last year
• globus-labs / mof-generation-at-scale
  Create new MOFs by combining generative AI and simulation on HPC
  ☆18Updated this week
• SimonEnsemble / porous-material-AI-gym
  open data sets for machine learning pertaining to porous materials
  ☆25Updated last year
• bafgreat / mofstructure
  A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…
  ☆18Updated 2 months ago
• computron / pymatgen_tutorials
  Tutorials for using the pymatgen library
  ☆25Updated last week
• atomisticnet / xas-tools
  Tools related to X-ray absorption spectroscopy (XAS)
  ☆18Updated 6 months ago
• ml-evs / this-material-does-not-exist
  Vote on whether you think predicted crystal structures could be synthesised
  ☆15Updated 5 months ago
• Quantum-Accelerators / template
  A template for Python packages. Developed by the @quantum-accelerators
  ☆13Updated last week
• THGLab / MLHessian-TSopt
  ☆14Updated 5 months ago