Learning Matter @ MIT
Rafael Gomez-Bombarelli Group @ MIT
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- FROMP-from-monomer Public
Mechanism-based reaction-diffusion model to predict FROMP front propagation from monomer molecular descriptors.
learningmatter-mit/FROMP-from-monomer’s past year of commit activity - XRD-GD Public
Code for XRD-based structure optimization that was used in the study presented in "The Loss Landscape of Powder X-Ray Diffraction-Based Structure Optimization Is Too Rough for Gradient Descent".
learningmatter-mit/XRD-GD’s past year of commit activity - PoTS Public
This repository provides scripts to generate vibrational displacement modes for DIMER transition state (TS) searches in crystalline structures.
learningmatter-mit/PoTS’s past year of commit activity
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