Alternatives and similar repositories for Material-Knowledge-Graph:

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

• sibasmarak / SymmCD
  ☆11Updated last month
• AdeeshKolluru / AdsorbDiff
  [ICML'24] Adsorbate Placement via Conditional Denoising Diffusion
  ☆13Updated 10 months ago
• lamalab-org / MatText
  Text-based modeling of materials.
  ☆31Updated 4 months ago
• microsoft / MOFDiff
  Coarse-grained Diffusion for Metal-Organic Framework Design
  ☆41Updated 9 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
• AC-BO-Hackathon / ac-bo-hackathon.github.io
  ☆10Updated 2 months ago
• ibayashi-hikaru / allegro-legato
  Robust NN MD simulator
  ☆20Updated last year
• atomicarchitects / DeNS
  [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
  ☆32Updated last month
• lamalab-org / chembench-paper
  ☆21Updated 2 months ago
• ankur56 / ChemLoRA
  ☆25Updated last year
• Open-Catalyst-Project / AdsorbML
  Corresponding dataset and tools for the AdsorbML manuscript.
  ☆40Updated last month
• hkqiu / Unified_ML4Polymers
  Unified machine learning model for predicting polymer properties through human language instructions
  ☆14Updated last year
• zhenpengyao / Supramolecular_VAE
  ☆31Updated 4 years ago
• zubatyuk / aimnet2
  AIMNet2: Fast, accurate and transferable neural network interatomic potential
  ☆18Updated 5 months ago
• kyonofx / scdp
  [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"
  ☆29Updated 3 months ago
• Fung-Lab / StructRepGen
  Atomic Structure Generation from Reconstructing Structural Fingerprints
  ☆14Updated 2 years ago
• THGLab / MLHessian-TSopt
  ☆15Updated 7 months ago
• ASK-Berkeley / StABlE-Training
  [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators
  ☆13Updated last month
• rochesterxugroup / DSGPM
  Deep Supervised Graph Partitioning Model
  ☆14Updated 3 years ago
• 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
• lamalab-org / llm-tutorial
  Tutorial on LLMs and agents
  ☆15Updated 8 months ago
• kjappelbaum / moffragmentor
  Split a MOF into its building blocks.
  ☆22Updated 2 years ago
• 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
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆26Updated 6 months ago
• zoom-wang112358 / MOLLEO
  Source code of MOLLEO
  ☆37Updated 9 months ago
• xnuohz / DimeNet-dgl
  A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).
  ☆20Updated last year
• atomicarchitects / symphony
  [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
  ☆18Updated last month
• aspuru-guzik-group / MERMaid
  Multimodal aid for mining of chemical reactions from PDFs
  ☆12Updated this week
• mjwen / rxnrep
  Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.
  ☆33Updated 2 years ago
• mlederbauer / awesome-learning-digital-chemistry
  a curated list of resources for everyone interested in learning about digital chemistry
  ☆22Updated last month