agskillman

agskillman's Stars

• bayesian-optimization/BayesianOptimization

  A Python implementation of global optimization with gaussian processes.

  Language:Python7.6k1.5k

• pfizer-opensource/torsional-strain

  Language:Python207

• BenevolentAI/guacamol

  Benchmarks for generative chemistry

  Language:Python38983

• aiqm/torchani

  Accurate Neural Network Potential on PyTorch

  Language:Python441124

• lpwgroup/torsiondrive

  Dihedral scanner with wavefront propagation

  Language:Python3121

• GPflow/GPflow

  Gaussian processes in TensorFlow

  Language:Python1.8k435

• 3dem/relion

  Image-processing software for cryo-electron microscopy

  Language:C++436193

• psi4/psi4

  Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

  Language:C++938434

• python/mypy

  Optional static typing for Python

  Language:Python17.8k2.7k

• deepchem/deepchem

  Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

  Language:Python5.3k1.6k

• isayev/ASE_ANI

  ANI-1 neural net potential with python interface (ASE)

  Language:Python21756

• andrewgodwin/channels-examples

  Example projects using Django Channels

  Language:Python1.2k405

• django/channels

  Developer-friendly asynchrony for Django

  Language:Python6k794