Materials Transformers
☆25Feb 4, 2023Updated 3 years ago
Alternatives and similar repositories for mtransformer
Users that are interested in mtransformer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Uncertainty Quantification for Materials Property Prediction: a Benchmark Study☆17Aug 19, 2024Updated last year
- Visualization for TRI materials network data☆17Jul 18, 2023Updated 2 years ago
- An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)☆10Dec 17, 2022Updated 3 years ago
- ☆14Dec 6, 2023Updated 2 years ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆110Dec 15, 2023Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- BERTOS: transformer for oxidation state prediction☆15Apr 18, 2025Updated last year
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆14May 5, 2025Updated last year
- Structure-based out-of-distribution (OOD) material property prediction: a benchmark study☆15May 17, 2025Updated last year
- Predict materials properties using only the composition information!☆125Apr 23, 2023Updated 3 years ago
- Generative deep learning model for inorganic materials☆20Mar 24, 2023Updated 3 years ago
- Representation Learning from Stoichiometry☆61Dec 12, 2022Updated 3 years ago
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- Scalable graph neural networks for materials property prediction☆65Feb 2, 2026Updated 3 months ago
- ☆19Jul 1, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- MatDeepLearn, package for graph neural networks in materials chemistry☆204Mar 20, 2023Updated 3 years ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆140Mar 3, 2026Updated 2 months ago
- Augmenting Polymer Datasets via Iterative Rearrangement☆13Jun 30, 2023Updated 2 years ago
- The Core Scientific Dataset Model (CSDM): A versatile and light-weight file-format for scientific datasets.☆18Dec 10, 2025Updated 5 months ago
- Inorganic Reaction Prediction☆11Jul 25, 2024Updated last year
- ☆11Jan 17, 2025Updated last year
- A browser-based visualization of chemistry papers, specifically morphology, material, and chemical data extracted from them. The UI was m…☆10Jun 21, 2022Updated 3 years ago
- InsightGraph: A Visual Journey through Materials Articles☆18Jul 20, 2023Updated 2 years ago
- Official Implementation of "C5T5: Controllable Generation of Organic Molecules with Transformers"☆23Dec 17, 2021Updated 4 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Utility to compile string of chemical terms into data structure with chemical formula and composition☆13Sep 17, 2021Updated 4 years ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Jun 6, 2022Updated 3 years ago
- FTCP code☆37Oct 11, 2023Updated 2 years ago
- A Python library for prediction of polymeric material properties.☆24May 6, 2022Updated 4 years ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆121Jun 20, 2024Updated last year
- parameterizing valid Euclidean distance matrices (EDMs) via neural networks☆19Oct 18, 2019Updated 6 years ago
- CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials. (AAAI-2023)☆30Jan 15, 2025Updated last year
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆319Aug 25, 2025Updated 8 months ago
- Introducing AlloyBERT: a transformer encoder-based model for predicting alloy properties from textual inputs. Leveraging RoBERTa and self…☆13Aug 5, 2024Updated last year
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- CrysXPP: An Explainable Property Predictor for Crystalline Materials (NPJ Computational Materials - 2022)☆21Jul 4, 2023Updated 2 years ago
- Machine learning model for crystal lattice constant prediction☆14Mar 17, 2021Updated 5 years ago
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- PyTorch/PyG implementation of M3GNet☆11Sep 11, 2023Updated 2 years ago
- ☆15Dec 18, 2023Updated 2 years ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 2 years ago
- ☆35Jul 18, 2025Updated 10 months ago