avaucher's Stars
github/gitignore
A collection of useful .gitignore templates
langchain-ai/langchain
🦜🔗 Build context-aware reasoning applications
hakimel/reveal.js
The HTML Presentation Framework
rclone/rclone
"rsync for cloud storage" - Google Drive, S3, Dropbox, Backblaze B2, One Drive, Swift, Hubic, Wasabi, Google Cloud Storage, Azure Blob, Azure Files, Yandex Files
HarisIqbal88/PlotNeuralNet
Latex code for making neural networks diagrams
AnthonyCalandra/modern-cpp-features
A cheatsheet of modern C++ language and library features.
KevinMusgrave/pytorch-metric-learning
The easiest way to use deep metric learning in your application. Modular, flexible, and extensible. Written in PyTorch.
hgrecco/pint
Operate and manipulate physical quantities in Python
pyscaffold/pyscaffold
🛠 Python project template generator with batteries included
TomAugspurger/effective-pandas
Source code for my collection of articles on using pandas.
atomistic-machine-learning/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
GT4SD/gt4sd-core
GT4SD, an open-source library to accelerate hypothesis generation in the scientific discovery process.
djsutherland/arxiv-collector
A little Python script to collect LaTeX sources for upload to the arXiv.
wjm41/molplotly
add-on to plotly which show molecule images on mouseover!
PatrickAlphaC/aave-flashloan-mix
A Brownie mix containing all you need to get started with developing flash loans
bibcure/doi2bib
get the bibtex string given a doi
BenevolentAI/MolBERT
sustainable-processes/summit
Optimising chemical reactions using machine learning
whitead/molcloud
Make a bunch of molecules
rxn4chemistry/biocatalysis-model
RXN for biochemical reactions
markmartorilopez/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.
duartegroup/molfunc
fast functionalisation of molecules
JethroHemmann/QuickLookProtein
QuickLookProtein is a macOS Quick Look extension to preview protein/3D structure files (PDB, SDF, CIF).
rxn4chemistry/rxn-chemutils
Chemistry-related Python utilities used in the RXN universe
rxn4chemistry/rxn-standardization
Standardizing chemical compounds with language models
rxn4chemistry/rxn-utilities
General Python utilities commonly used in the RXN universe
IBM/JLPlusPlus
Code demo to reproduce the experimental results of our NeurIPS 2022 paper "Approximate Euclidean lengths and distances beyond Johnson-Lindenstrauss"
drugilsberg/bootstrap_python_package
Bootstrap a python package with cookiecutter
rxn4chemistry/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.
sciperactive/pubchem-demo-acs-spring-2023
Demonstration of Programmatic Access to PubChem (ACS Spring 2023 National Meeting)