Daniel Flam-Shepherd

According to our database, Daniel Flam-Shepherd authored at least 10 papers between 2020 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

Atom-by-atom protein generation and beyond with language models.

Daniel Flam-Shepherd, Kevin Zhu, Alán Aspuru-Guzik

CoRR, 2023

Language models can generate molecules, materials, and protein binding sites directly in three dimensions as XYZ, CIF, and PDB files.

Daniel Flam-Shepherd, Alán Aspuru-Guzik

CoRR, 2023

2022

Learning interpretable representations of entanglement in quantum optics experiments using deep generative models.

Daniel Flam-Shepherd, Tony C. Wu, Xuemei Gu, Alba Cervera-Lierta, Mario Krenn, Alán Aspuru-Guzik

Nat. Mach. Intell., 2022

Scalable Fragment-Based 3D Molecular Design with Reinforcement Learning.

Daniel Flam-Shepherd, Alexander Zhigalin, Alán Aspuru-Guzik

CoRR, 2022

2021

Neural message passing on high order paths.

Daniel Flam-Shepherd, Tony C. Wu, Pascal Friederich, Alán Aspuru-Guzik

Mach. Learn. Sci. Technol., 2021

MPGVAE: improved generation of small organic molecules using message passing neural nets.

Daniel Flam-Shepherd, Tony C. Wu, Alán Aspuru-Guzik

Mach. Learn. Sci. Technol., 2021

Keeping it Simple: Language Models can learn Complex Molecular Distributions.

Daniel Flam-Shepherd, Kevin Zhu, Alán Aspuru-Guzik

CoRR, 2021

Learning quantum dynamics with latent neural ODEs.

Matthew Choi, Daniel Flam-Shepherd, Thi Ha Kyaw, Alán Aspuru-Guzik

CoRR, 2021

2020

Bayesian Variational Optimization for Combinatorial Spaces.

Tony C. Wu, Daniel Flam-Shepherd, Alán Aspuru-Guzik

CoRR, 2020

Graph Deconvolutional Generation.

Daniel Flam-Shepherd, Tony C. Wu, Alán Aspuru-Guzik

CoRR, 2020