Stars
Library of deep learning models and datasets designed to make deep learning more accessible and accelerate ML research.
Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)
TensorFlow Neural Machine Translation Tutorial
a package to simulate fluid surfaces and biomembranes
Workshop materials for 2025 POSE workshop
DeepMSProfiler, an innovative data analysis tool focused on liquid chromatography mass spectrometry (LC-MS) data.
Benchmarking human and machine learning performance.
An extremely fast Python package and project manager, written in Rust.
The code for the article "Fully Automated Unconstrained Analysis of High-Resolution Mass Spectrometry Data with Machine Learning"
Automated analysis of LCMS data for high throughput chemistry experiments
Pyteomics is a collection of lightweight and handy tools for Python that help to handle various sorts of proteomics data. Pyteomics provides a growing set of modules to facilitate the most common t…
Describe and apply transformation on molecular structures and topologies
Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
Supplementary data files for "A Computational Model Replicating the Lipid Composition of a Human Epithelial Plasma Membrane "
Chemist AI Agent for Developing Materials Datasets with Natural Language Prompts
High accuracy RAG for answering questions from scientific documents with citations
Official Implementation of OCR-free Document Understanding Transformer (Donut) and Synthetic Document Generator (SynthDoG), ECCV 2022
This repository contains demos I made with the Transformers library by HuggingFace.