olsson-group

bibax

dynAMMo

dynAMMo is a Python library designed to enhance the capabilities of traditional Markov Models by incorporating dynamic observables and providing tools for the analysis of biomolecular dynamics through augmented Markov models.

ito

litmus-test-paper

mdqm9-nc-loaders

RL-GraphINVENT

RL-GraphINVENT is a platform for graph-based targeted molecular generation using graph neural networks and reinforcement learning. RL-GraphINVENT uses a Gated Graph Neural Network -based model fine-tuned using reinforcement learning to probabilistically generate new molecules with desired property profiles.

sma-md

sml_project1

sml_project1

transBG

wandb_utils

olsson-group/RL-GraphINVENT

RL-GraphINVENT is a platform for graph-based targeted molecular generation using graph neural networks and reinforcement learning. RL-GraphINVENT uses a Gated Graph Neural Network -based model fine-tuned using reinforcement learning to probabilistically generate new molecules with desired property profiles.

olsson-group/ito

olsson-group/litmus-test-paper

olsson-group/sma-md

olsson-group/dynAMMo

dynAMMo is a Python library designed to enhance the capabilities of traditional Markov Models by incorporating dynamic observables and providing tools for the analysis of biomolecular dynamics through augmented Markov models.

olsson-group/transBG

olsson-group/wandb_utils

olsson-group/bibax

olsson-group/mdqm9-nc-loaders

olsson-group/sml_project1

sml_project1

olsson-group/sml_project2

olsson-group/sml_project3