pjhartout
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Create web-based user interfaces with Python. The nice way.
Python dictionaries with advanced dot notation access
Make your functions return something meaningful, typed, and safe!
Python library and shell utilities to monitor filesystem events.
Dermatology ddx dataset, Jax implementations of Monte Carlo conformal prediction, plausibility regions and statistical annotation aggregation from our recent work on uncertain ground truth (TMLR'23…
Lightning-fast serving engine for any AI model of any size. Flexible. Easy. Enterprise-scale.
repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
PINDER: The Protein INteraction Dataset and Evaluation Resource
Protein Ligand INteraction Dataset and Evaluation Resource
Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes
A massively parallel, high-level programming language
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
Uncomplicated Observability for Python and beyond! 🪵🔥
An object-aware diffusion model for generating chemical reactions
A flexible distributed key-value datastore that is optimized for caching and other realtime workloads.
Color Schemes based around artwork and the Museum of Modern Art.
Optimal transport tools implemented with the JAX framework, to get differentiable, parallel and jit-able computations.
Code for the ProteinMPNN paper
An extremely fast Python package and project manager, written in Rust.
Protein Structure Transformer (PST): Endowing pretrained protein language models with structural knowledge
NequIP is a code for building E(3)-equivariant interatomic potentials
A library to analyze PyTorch traces.
Official code repository for the paper "ProteinNPT: Improving Protein Property Prediction and Design with Non-Parametric Transformers"
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …
Python ETL framework for stream processing, real-time analytics, LLM pipelines, and RAG.
