Morphometrics for Membrane Surfaces Segmented from Cryo-ET or other volumetric imaging.

A library that enables code interoperability via the MolSSI Driver Interface.

Qiskit is an open-source SDK for working with quantum computers at the level of circuits, algorithms, and application modules.

A Python framework for creating, editing, and invoking Noisy Intermediate Scale Quantum (NISQ) circuits.

LAMMPS inputs and data files

Convert files from the ATB repository to LAMMPS format

End-To-End Molecular Dynamics (MD) Engine using PyTorch

Differentiable, Hardware Accelerated, Molecular Dynamics

🚀 The open-source, multi-tenant, self-building knowledge graph

Experiments with expanded ensembles to explore chemical space

Public development project of the LAMMPS MD software package

Use Case for the OpenModel project

Productive, portable, and performant GPU programming in Python.

PRML algorithms implemented in Python

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

Google DeepMind's software stack for physics-based simulation and Reinforcement Learning environments, using MuJoCo.

starfish: unified pipelines for image-based transcriptomics

Manupulate VTK files in Python

Modelling of Mycoplasma genitalium

Python coverage example

PennyLane is a cross-platform Python library for quantum computing, quantum machine learning, and quantum chemistry. Train a quantum computer the same way as a neural network.

Web portal of Quantum Open Source Foundation

Bitmap & tilemap generation from a single example with the help of ideas from quantum mechanics

Roadmap to becoming an Artificial Intelligence Expert in 2022

ReText: Simple but powerful editor for Markdown and reStructuredText

Software Suite for Advanced General Ensemble Simulations

Gromacs to Lammps simulation converter