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py-rcsb_app_file

py-rcsb_db

RCSB Python Database Utility Classes

py-rcsb_utils_dictionary

RCSB dictionary method utilities

py-rcsb_utils_io

Common shared Python I/O modules

py-rcsb_utils_seq

Utility methods for processing polymer sequence data.

py-rcsb_utils_struct

pyamg

Algebraic Multigrid Solvers in Python

pyfvm

Finite volume discretization tools for Python.

pygalmesh

:spider_web: A Python interface to CGAL's meshing tools

pyhessian

PyHessian is a Pytorch library for second-order based analysis and training of Neural Networks

pyinknife2

New version of the PyInKnife tool

pykrylov

A library of Krylov methods in pure Python

pyproximal

PyProximal – Proximal Operators and Algorithms in Python

pyrmeli

Collection of personal Python scripts, functions and utilities

pyrosettaquestionsource

Rosetta code

pyseqm

an interface to semi-empirical quantum chemistry methods implemented with pytorch

python-telegram-bot

We have made you a wrapper you can't refuse

pytorch-deep-learning

Deep Learning (with PyTorch)

pytorch-made

MADE (Masked Autoencoder Density Estimation) implementation in PyTorch

pytorch-metric-learning

The easiest way to use deep metric learning in your application. Modular, flexible, and extensible. Written in PyTorch.

pytorch-optimizer

torch-optimizer -- collection of optimizers for Pytorch

pytorch-voxel-flow

Video Frame Synthesis using Deep Voxel Flow

pytorch3d

PyTorch3D is FAIR's library of reusable components for deep learning with 3D data

pytorch_sparse

PyTorch Extension Library of Optimized Autograd Sparse Matrix Operations

qca-dataset-submission

Data generation and submission scripts for the QCArchive ecosystem.

qpca

qpca implementation in Python

qskit

Q Branch’s collection of Cocoa categories and utilities.

quantumdeepfield_molecule

Quantum deep field for molecule

quicksom

rax

Rax is a Learning-to-Rank library written in JAX.