Alternatives and similar repositories for Material-Knowledge-Graph:

Users that are interested in Material-Knowledge-Graph are comparing it to the libraries listed below

• lamalab-org / MatText
  Text-based modeling of materials.
  ☆31Updated 4 months ago
• lamalab-org / chembench-paper
  ☆21Updated 3 months ago
• AI4ChemS / Eunomia
  Chemist AI Agent for Developing Materials Datasets with Natural Language Prompts
  ☆48Updated 5 months ago
• atomicarchitects / DeNS
  [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
  ☆32Updated 2 months ago
• sibasmarak / SymmCD
  ☆13Updated 2 months ago
• Fung-Lab / StructRepGen
  Atomic Structure Generation from Reconstructing Structural Fingerprints
  ☆15Updated 2 years ago
• vertaix / LLM-Prop
  A repository for the LLM-Prop implementation
  ☆34Updated 11 months ago
• hoon-ock / CatBERTa
  Large Language Model for Catalyst Property Prediction
  ☆24Updated last year
• hkqiu / PolymerGenerationPretrainedModel
  The repository for the generative pretrained model on polymer generation
  ☆11Updated 4 months ago
• zoom-wang112358 / MOLLEO
  Source code of MOLLEO
  ☆39Updated last week
• kyonofx / scdp
  [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"
  ☆33Updated 4 months ago
• microsoft / MOFDiff
  Coarse-grained Diffusion for Metal-Organic Framework Design
  ☆42Updated 10 months ago
• hkqiu / Unified_ML4Polymers
  Unified machine learning model for predicting polymer properties through human language instructions
  ☆16Updated last year
• AdeeshKolluru / AdsorbDiff
  [ICML'24] Adsorbate Placement via Conditional Denoising Diffusion
  ☆13Updated 11 months ago
• olsenlabmit / Polymer-Graph-Similarity
  Quantifying Pairwise Chemical Similarity for Polymers
  ☆13Updated last year
• Open-Catalyst-Project / AdsorbML
  Corresponding dataset and tools for the AdsorbML manuscript.
  ☆40Updated 2 months ago
• TUM-DAML / gemnet_tf
  GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
  ☆25Updated last year
• atomicarchitects / symphony
  [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
  ☆21Updated 2 months ago
• lamalab-org / macbench
  Probing the limitations of multimodal language models for chemistry and materials research
  ☆16Updated last month
• mlederbauer / awesome-learning-digital-chemistry
  a curated list of resources for everyone interested in learning about digital chemistry
  ☆23Updated 2 weeks ago
• rxn4chemistry / rxn-ir-to-structure
  Predicting molecular structure from Infrared (IR) Spectra
  ☆19Updated 10 months ago
• lamalab-org / matextract-book
  ☆39Updated last month
• TUM-DAML / synthetic_coordinates
  Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)
  ☆30Updated last year
• AC-BO-Hackathon / ac-bo-hackathon.github.io
  ☆10Updated 2 weeks ago
• lbnlp / MatBERT
  A pretrained BERT model on materials science literature
  ☆59Updated 3 years ago
• usnistgov / chemnlp
  ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data
  ☆75Updated 8 months ago
• tomer196 / GaUDI
  Guided Diffusion Model for Molecular Inverse Design
  ☆18Updated last year
• aspuru-guzik-group / Pasithea
  Deep Molecular Dreaming
  ☆25Updated 11 months ago
• ASK-Berkeley / StABlE-Training
  [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators
  ☆13Updated last month
• ibayashi-hikaru / allegro-legato
  Robust NN MD simulator
  ☆20Updated last year