vthost

Project_CodeNet

This repository is to support contributions for tools for the Project CodeNet dataset hosted in DAX

Awesome-LLM-Uncertainty-Reliability-Robustness

Awesome-LLM-Robustness: a curated list of Uncertainty, Reliability and Robustness in Large Language Models

Chemformer

retro_star

Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search

DAGNN

A graph neural network tailored to directed acyclic graphs that outperforms conventional GNNs by leveraging the partial order as strong inductive bias besides other suitable architectural features.

data_efficient_grammar

[ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation

RetroXpert

Graph2SMILES

DAGformer

The repository implements the Transformer over Directed Acyclic Graph (DAG transformer) in Pytorch Geometric.

graphretro

Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)

mofdscribe

An ecosystem for digital reticular chemistry

rxn-ebm

Energy-based modeling of chemical reactions

aizynthtrain

Tools to train synthesis prediction models

RuDaS

RuDaS: Synthetic Datasets for Rule Learning

polymer-chemprop-data

Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"

PACE

TLC-GNN

Molecular-homology

MOF-NET

RetroComposer

2020

kr2ml.github.io

OWLSyntaxConverter

Utility to convert OWL ontologies to different formats, including OWL syntaxes and RDF/XML.

retro_diverse

2019

:sparkles: Build a beautiful and simple website in literally minutes. Demo at http://deanattali.com/beautiful-jekyll

ibm-2019