https://github.com/aspeddro/petpython
:book: Docs e Notebooks Jupyter do curso de Python :snake:
https://github.com/aspirina765/ultra
A foundation model for knowledge graph reasoning
https://github.com/aspirina765/megatron-lm
Ongoing research training transformer models at scale
https://github.com/aspirina765/awesome-distributed-systems
A curated list to learn about distributed systems
https://github.com/aspuru-guzik-group/quetzal
A scalable architecture for generating 3D molecules atom-by-atom
https://github.com/aspuru-guzik-group/stereogeneration
Testing generation of molecules with stereoisomers.
https://github.com/aspuru-guzik-group/janus
Code for the paper "JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design"
https://github.com/aspuru-guzik-group/da_for_polymers
Augmenting Polymer Datasets via Iterative Rearrangement
https://github.com/aspuru-guzik-group/atlas
A brain for self-driving laboratories
https://github.com/aspuru-guzik-group/stiefelfm
Code for "Stiefel Flow Matching for Moment-Constrained Structure Elucidation"
https://github.com/aspuru-guzik-group/artificial-design-of-organic-emitters
Code and data for "Artificial Design of Organic Emitters via a Genetic Algorithm Enhanced by a Deep Neural Network".
https://github.com/aspuru-guzik-group/kreed
Code for Reflection-Equivariant Diffusion for 3D Structure Determination from Isotopologue Rotational Spectra in Natural Abundance
https://github.com/aspuru-guzik-group/computer-vision-for-the-chemistry-lab
Use convolutional neural net to detect segment and classify material phases and vessels in chemistry lab and other setting involving materials in mostly transparent vessels
https://github.com/aspuru-guzik-group/kraken
Code to compute electronic and steric features to create a database of ligands and their properties
https://github.com/aspuru-guzik-group/scilla
Automated discovery of superconducting circuits