Alain Vaucher's starred repositories
PlotNeuralNet
Latex code for making neural networks diagrams
modern-cpp-features
A cheatsheet of modern C++ language and library features.
pytorch-metric-learning
The easiest way to use deep metric learning in your application. Modular, flexible, and extensible. Written in PyTorch.
pyscaffold
🛠 Python project template generator with batteries included
effective-pandas
Source code for my collection of articles on using pandas.
schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
gt4sd-core
GT4SD, an open-source library to accelerate hypothesis generation in the scientific discovery process.
arxiv-collector
A little Python script to collect LaTeX sources for upload to the arXiv.
aave-flashloan-mix
A Brownie mix containing all you need to get started with developing flash loans
biocatalysis-model
RXN for biochemical reactions
OChemR
From a chemical reaction image, detect and classify molecules, text and arrows by using the Vision Transformer DETR. Comparisons with well-established CNNs (RetinaNet and FasterRCNN also provided). The detections are then translated into text "OCR" or into SMILES. The direction of the reaction is learned and preserved into the output files.
QuickLookProtein
QuickLookProtein is a macOS Quick Look extension to preview protein/3D structure files (PDB, SDF, CIF).
rxn-chemutils
Chemistry-related Python utilities used in the RXN universe
rxn-standardization
Standardizing chemical compounds with language models
rxn-utilities
General Python utilities commonly used in the RXN universe
JLPlusPlus
Code demo to reproduce the experimental results of our NeurIPS 2022 paper "Approximate Euclidean lengths and distances beyond Johnson-Lindenstrauss"
bootstrap_python_package
Bootstrap a python package with cookiecutter
OChemR
From a chemical reaction image, detect and classify molecules, text and arrows by using the Vision Transformer DETR. Comparisons with well-established CNNs (RetinaNet and FasterRCNN also provided). The detections are then translated into text "OCR" or into SMILES. The direction of the reaction is learned and preserved into the output files.
pubchem-demo-acs-spring-2023
Demonstration of Programmatic Access to PubChem (ACS Spring 2023 National Meeting)