9 results for “topic:materials-project”
A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
Use time-splits for Materials Project entries for generative modeling benchmarking.
Interactive phase diagram generator for up to 4 components (solid phases) using the Materials Project API and pymatgen.
Automatic Generation of Quantum ESPRESSO Input Files
Scientific data enrichment tool for Open WebUI - Chemistry and materials science integration with PubChem, ChEMBL, Materials Project, and RDKit
Some programs I use in my research
No description provided.
I want to download data from Materials Project through API but I have an import error. Could anyone tell me how to solve it?
Multimodal Deep Learning pipeline for crystalline bandgap prediction. Combines 1D X-Ray Diffraction (XRD) patterns with engineered tabular features (Magpie & CrystalNN) using a dual-branch PyTorch ResNet architecture. Features high-throughput data extraction via Materials Project API and automated structural featurization.