Alternatives and similar repositories for structuregraph-helpers

Users that are interested in structuregraph-helpers are comparing it to the libraries listed below

• ml-evs / this-material-does-not-exist
  Vote on whether you think predicted crystal structures could be synthesised
  ☆18Updated last year
• nomad-coe / matid
  MatID is a Python package for identifying and analyzing atomistic systems based on their structure.
  ☆13Updated 5 months ago
• fonsecag / FFAST
  ☆12Updated 4 months ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 3 years ago
• aimat-lab / ChemMatData
  An overview over chemical datasets and where to find them
  ☆17Updated last year
• neo-chem / awesome-chemical-data
  Curated list of known efforts in collecting and/or curating of chemical/materials data
  ☆21Updated 4 years ago
• EPiCs-group / chemspax
  A Python tool for local chemical space exploration of any structure based on their 3D geometry
  ☆13Updated 10 months ago
• molmd / mispr
  A software for automating materials science computations
  ☆31Updated last month
• hjkgrp / text_mining_tools
  Tools to facilitate NLP of scientific literature
  ☆16Updated 3 years ago
• 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 10 months ago
• prashungorai / combined-gnn
  Graph neural network for predicting energy of known and hypothetical crystal structures
  ☆10Updated 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…
  ☆14Updated 8 months ago
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated last year
• a1k12 / moleculetda
  A framework for using topological data analysis to extract structure/symmetry from scientific systems.
  ☆25Updated 2 years ago
• mturiansky / abcv
  A python-based crystal viewer built upon the fresnel and pymatgen libraries.
  ☆16Updated last year
• lrcfmd / ChemDASH
  Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments
  ☆22Updated 2 years ago
• aryandeshwal / BO_of_COFs
  Python code for the paper Bayesian Optimization of Nanoporous Materials.
  ☆23Updated 2 years ago
• eltonpan / zeosyn_gen
  DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning
  ☆13Updated 2 months ago
• CumbyLab / gridrdf
  Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…
  ☆12Updated 2 years ago
• lrcfmd / ElMD
  The Element Movers Distance for chemical composition similarity
  ☆34Updated 4 months ago
• BlauGroup / HiPRGen
  ☆26Updated 9 months ago
• zhenpengyao / Supramolecular_VAE
  ☆33Updated 4 years ago
• deepmaterials / slmat
  SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27
  ☆20Updated 2 months ago
• ihalage / analogmat
  Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.
  ☆10Updated 2 years ago
• materials-data-facility / llm-resources
  ☆20Updated last year
• 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
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆30Updated 11 months ago
• materialsproject / foundation
  ☆17Updated 4 months ago
• BingqingCheng / Mapping-the-space-of-materials-and-molecules
  ☆10Updated 4 years ago
• SimonEnsemble / PoreMatMod.jl
  a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…
  ☆18Updated last year