Search All 2022 Events
 

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Poster
Wed 14:00 Reinforced Genetic Algorithm for Structure-based Drug Design
Tianfan Fu · Wenhao Gao · Connor Coley · Jimeng Sun
Poster
Wed 14:00 Trajectory balance: Improved credit assignment in GFlowNets
Nikolay Malkin · Moksh Jain · Emmanuel Bengio · Chen Sun · Yoshua Bengio
Workshop
Assessing multi-objective optimization of molecules with genetic algorithms against relevant baselines
Nathanael Kusanda · Gary Tom · Riley Hickman · AkshatKumar Nigam · Kjell Jorner · Alan Aspuru-Guzik
Poster
Wed 14:00 Probabilistic Transformer: Modelling Ambiguities and Distributions for RNA Folding and Molecule Design
Jörg Franke · Frederic Runge · Frank Hutter
Workshop
Equivariant 3D-Conditional Diffusion Models for Molecular Linker Design
Ilia Igashov · Hannes Stärk · Clément Vignac · Victor Garcia Satorras · Pascal Frossard · Max Welling · Michael Bronstein · Bruno Correia