linminhtoo

neuralsym

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

RetroViz

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

Shopee-Image-Classification

that_one

AI-powered children's story generation

algorithms

energy_production_forecasting

Energy Demand Modelling for AI4Impact Datathon

neural-net-numpy

a neural network from scratch in numpy

tree_gen_net

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

advent-of-code-2021

https://adventofcode.com/2021/

megan

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

molecule-generation

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

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

overcooked_ai

A benchmark environment for fully cooperative human-AI performance.

Pentago

The game of Pentago, for CM4043

photo_gallery

rxn-ebm

Energy-based modeling of chemical reactions

tblite

Light-weight tight-binding framework

torch-gauge

A light-weight PyTorch extension for equivariant deep learning