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Lin Min Htoo's Projects

megan icon megan

Code for "Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits"

molecule-generation icon molecule-generation

Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation

mso icon mso

Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Robin Winter, Floriane Montanari, Andreas Steffen, Hans Briem, Frank Noé and Djork-Arné Clevert

neuralsym icon neuralsym

Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication

overcooked_ai icon overcooked_ai

A benchmark environment for fully cooperative human-AI performance.

retroviz icon retroviz

Visual Analysis of performance of state-of-the-art models for retrosynthesis

rxn-ebm icon rxn-ebm

Energy-based modeling of chemical reactions

tblite icon tblite

Light-weight tight-binding framework

torch-gauge icon torch-gauge

A light-weight PyTorch extension for equivariant deep learning

tree_gen_net icon tree_gen_net

re-implementation of Gao et al's paper on amortized molecular generation (2021)

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