machine-deep-learning

Here are 5 public repositories matching this topic...

hverma99 / pinnse

A modular PyTorch framework for developing physics-informed neural network surrogate models for chemical process modeling, simulation, and process systems engineering.

chemical-engineering process-systems-engineering modeling-and-simulation physicsinformedneuralnetworks machine-deep-learning

Updated Aug 3, 2026
Python

shahram-boshra / qm9_desc

Star

Molecular Descriptors QM9 GNN

python cheminformatics pytorch graph-convolutional-networks graph-neural-networks pytorch-geometric gnn rdkit-chem molecular-property-prediction chemical-informatics molecular-graph-neural-networks machine-deep-learning molecular-graph-descriptors

Updated Apr 14, 2025
Python

shahram-boshra / qm7_database_process

Star

QM7 Dataset Processing and Curation

python pytorch graph-neural-networks pytorch-geometric gnn rdkit-chem chemical-informatics machine-deep-learning qm7-database

Updated Jul 24, 2025
Python

shahram-boshra / qm9_tpsa

Star

TPSA-augmented QM9 GNN

python pytorch rdkit graph-convolutional-networks pytorch-geometric gnn molecular-graphs rdkit-chem chemical-informatics tpsa qm9-dataset molecular-graph-neural-networks machine-deep-learning

Updated Jul 24, 2025
Python

shahram-boshra / mlip_nequip_md17

Star

MLIP NequIP on the MD17 Dataset

python pytorch graph-neural-networks pytorch-geometric molecular-property-prediction machine-learning-interatomic-potential nequip mlips machine-deep-learning md17 neural-equivariant-interatomic-potentials

Updated Apr 23, 2025
Python

Improve this page

Add a description, image, and links to the machine-deep-learning topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the machine-deep-learning topic, visit your repo's landing page and select "manage topics."

Learn more