Pinned Repositories
aiida-lsmo
AiiDA workflows for the LSMO laboratory at EPFL
alignn
Atomistic Line Graph Neural Network
Atom2Vec
Atom2Vec: a simple way to describe atoms for machine learning
autogluon
AutoGluon: AutoML for Image, Text, and Tabular Data
AutomatedExperiment_Summer2023
The summer training course on the Bayesian Optimization
Awesome-Crystal-GNNs
This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials
awesome-materials-informatics
Curated list of known efforts in materials informatics
CCDCGAN-for-multicomponent-systems
cdvae
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
DeepFM4MOF
This package provides implementation of MOF recommendation system.
fmggggg's Repositories
fmggggg/DeepFM4MOF
This package provides implementation of MOF recommendation system.
fmggggg/alignn
Atomistic Line Graph Neural Network
fmggggg/Atom2Vec
Atom2Vec: a simple way to describe atoms for machine learning
fmggggg/autogluon
AutoGluon: AutoML for Image, Text, and Tabular Data
fmggggg/AutomatedExperiment_Summer2023
The summer training course on the Bayesian Optimization
fmggggg/Awesome-Crystal-GNNs
This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials
fmggggg/awesome-materials-informatics
Curated list of known efforts in materials informatics
fmggggg/cdvae
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
fmggggg/cell2mol
fmggggg/cp2k
Quantum chemistry and solid state physics software package
fmggggg/CrysTens
fmggggg/DiT
Official PyTorch Implementation of "Scalable Diffusion Models with Transformers"
fmggggg/DiT-3D
🔥🔥🔥Official Codebase of "DiT-3D: Exploring Plain Diffusion Transformers for 3D Shape Generation"
fmggggg/Generative-models
This project aim to share the knowledge and code concerning generative models.
fmggggg/i-pi
i-PI: a universal force engine
fmggggg/ipcsp
Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings
fmggggg/latent-diffusion
High-Resolution Image Synthesis with Latent Diffusion Models
fmggggg/MatDeepLearn
MatDeepLearn, package for graph neural networks in materials chemistry
fmggggg/materials_discovery
fmggggg/MetisFL
MetisFL 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 data in a centralized location. The core of the framework is written in C++ and focuses on scalability, speed and resiliency.
fmggggg/mofchecker
Basic sanity checks for MOFs.
fmggggg/mofdscribe
An ecosystem for digital reticular chemistry
fmggggg/MOFormer
Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction
fmggggg/MOFTransformer
Universal Transfer Learning for MOF
fmggggg/molSimplify
molSimplify code
fmggggg/nanoGPT
The simplest, fastest repository for training/finetuning medium-sized GPTs.
fmggggg/pyrfume
fmggggg/stable-diffusion
A latent text-to-image diffusion model
fmggggg/stk
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
fmggggg/StructRepGen
Atomic Structure Generation from Reconstructing Structural Fingerprints