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ProCyon Public
Forked from mims-harvard/ProCyonProCyon: A multimodal foundation model for protein phenotypes
Python MIT License UpdatedFeb 6, 2025 -
SciAgentsDiscovery Public
Forked from lamm-mit/SciAgentsDiscoveryPython Apache License 2.0 UpdatedFeb 3, 2025 -
MCRT Public
Molecular Crystal Representation from Transformer
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euclidean_fast_attention Public
Forked from thorben-frank/euclidean_fast_attentionImplementation of the Euclidean fast attention (EFA) algorithm
Python UpdatedDec 13, 2024 -
DiffCSP-SC Public
Forked from pincher-chen/DiffCSP-SC[NeurIPS 2024] The implementation for the paper "Learning Superconductivity from Ordered and Disordered Material Structures"
Python UpdatedNov 28, 2024 -
CrystaLLM Public
Forked from lantunes/CrystaLLMA Large Language Model of the CIF format for Crystal Structure Generation
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nanoGPT Public
Forked from karpathy/nanoGPTThe simplest, fastest repository for training/finetuning medium-sized GPTs.
Python MIT License UpdatedAug 19, 2024 -
cdvae Public
Forked from txie-93/cdvaeAn SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
Python MIT License UpdatedAug 14, 2024 -
GraphReasoning Public
Forked from lamm-mit/GraphReasoningJupyter Notebook Apache License 2.0 UpdatedJul 19, 2024 -
DiffCSP Public
Forked from jiaor17/DiffCSP[NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
Python MIT License UpdatedJul 16, 2024 -
DiT-3D Public
Forked from DiT-3D/DiT-3D🔥🔥🔥Official Codebase of "DiT-3D: Exploring Plain Diffusion Transformers for 3D Shape Generation"
Python Apache License 2.0 UpdatedMay 17, 2024 -
Awesome-Crystal-GNNs Public
Forked from kdmsit/Awesome-Crystal-GNNsThis repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials
MIT License UpdatedApr 1, 2024 -
targetdiff Public
Forked from guanjq/targetdiffThe official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
Python UpdatedJan 10, 2024 -
materials_discovery Public
Forked from google-deepmind/materials_discoveryPython Apache License 2.0 UpdatedDec 2, 2023 -
DiT Public
Forked from facebookresearch/DiTOfficial PyTorch Implementation of "Scalable Diffusion Models with Transformers"
Python Other UpdatedNov 2, 2023 -
molSimplify Public
Forked from hjkgrp/molSimplifymolSimplify code
Python GNU General Public License v3.0 UpdatedOct 13, 2023 -
MetisFL Public
Forked from bioint/MetisFLMetisFL is a federated learning framework that allows developers to easily federate their machine learning workflows and train their models across distributed data silos without ever collecting the…
C++ Other UpdatedSep 10, 2023 -
MOFormer Public
Forked from zcao0420/MOFormerTransformer model for structure-agnostic metal-organic frameworks (MOF) property prediction
Python UpdatedSep 10, 2023 -
alignn Public
Forked from usnistgov/alignnAtomistic Line Graph Neural Network
Python Other UpdatedSep 2, 2023 -
AutomatedExperiment_Summer2023 Public
Forked from SergeiVKalinin/AutomatedExperiment_Summer2023The summer training course on the Bayesian Optimization
Jupyter Notebook UpdatedAug 18, 2023 -
stable-diffusion Public
Forked from CompVis/stable-diffusionA latent text-to-image diffusion model
Jupyter Notebook Other UpdatedAug 3, 2023 -
DeepFM4MOF Public
This package provides implementation of MOF recommendation system.
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stk Public
Forked from lukasturcani/stkA Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
Python MIT License UpdatedAug 1, 2023 -
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GeoLDM Public
Forked from MinkaiXu 6D9F /GeoLDMGeometric Latent Diffusion Models for 3D Molecule Generation
Python MIT License UpdatedJun 9, 2023 -
ipcsp Public
Forked from lrcfmd/ipcspInteger Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings
Python MIT License UpdatedMay 15, 2023 -
Generative-models Public
Forked from StarLight1212/Generative-modelsThis project aim to share the knowledge and code concerning generative models.
Python UpdatedMay 8, 2023 -
MatDeepLearn Public
Forked from Fung-Lab/MatDeepLearnMatDeepLearn, package for graph neural networks in materials chemistry
Python UpdatedMar 20, 2023 -
awesome-materials-informatics Public
Forked from tilde-lab/awesome-materials-informaticsCurated list of known efforts in materials informatics
UpdatedNov 8, 2022 -
latent-diffusion Public
Forked from CompVis/latent-diffusionHigh-Resolution Image Synthesis with Latent Diffusion Models
Jupyter Notebook MIT License UpdatedNov 5, 2022
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