Gerald Gutenbrunner
@ggutenbrunner.bsky.social
Physics and Simulation - Ph.D. Student @ ELLIS Unit / University Linz Institute for Machine Learning
Reposted by Gerald Gutenbrunner
Diverse and feasible retrosynthesis using GFlowNetsDiverse and feasible retrosynthesis using GFlowNets
Predicting/generating chemical reactions. Semi-template approach with GFlowNets as generative model. Lots of evaluations, e.g. multi-step retrosynthesis.
P: www.sciencedirect.com/science/arti...
Predicting/generating chemical reactions. Semi-template approach with GFlowNets as generative model. Lots of evaluations, e.g. multi-step retrosynthesis.
P: www.sciencedirect.com/science/arti...
April 23, 2025 at 6:06 AM
Diverse and feasible retrosynthesis using GFlowNetsDiverse and feasible retrosynthesis using GFlowNets
Predicting/generating chemical reactions. Semi-template approach with GFlowNets as generative model. Lots of evaluations, e.g. multi-step retrosynthesis.
P: www.sciencedirect.com/science/arti...
Predicting/generating chemical reactions. Semi-template approach with GFlowNets as generative model. Lots of evaluations, e.g. multi-step retrosynthesis.
P: www.sciencedirect.com/science/arti...
Reposted by Gerald Gutenbrunner
The Machine Learning for Molecules workshop 2024 will take place THIS FRIDAY, December 6.
Tickets for in-person participation are "SOLD" OUT.
We still have a few free tickets for online/virtual participation!
Registration link here: moleculediscovery.github.io/workshop2024/
Tickets for in-person participation are "SOLD" OUT.
We still have a few free tickets for online/virtual participation!
Registration link here: moleculediscovery.github.io/workshop2024/
ML for molecules and materials in the era of LLMs [ML4Molecules]
ELLIS workshop, HYBRID, December 6, 2024
moleculediscovery.github.io
December 3, 2024 at 12:35 PM
The Machine Learning for Molecules workshop 2024 will take place THIS FRIDAY, December 6.
Tickets for in-person participation are "SOLD" OUT.
We still have a few free tickets for online/virtual participation!
Registration link here: moleculediscovery.github.io/workshop2024/
Tickets for in-person participation are "SOLD" OUT.
We still have a few free tickets for online/virtual participation!
Registration link here: moleculediscovery.github.io/workshop2024/