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openchem

OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

opencv

Open Source Computer Vision Library

opencv-1

R bindings for OpenCV

openforcefield

The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

openhotspot

OpenHotspot is a machine learning, crime analysis framework written in C++11.

openintro

📦 R package for data and supplemental functions for OpenIntro resources

openintrostatsslides

Slides for Intro Stats using OpenIntro Textbook

openmd

Molecular Dynamics in the Open

openmdao

OpenMDAO is a high-performance computing platform for systems analysis and optimization that enables you to decompose your models, making them easier to build and maintain, while still solving them in a tightly-coupled manner with efficient parallel numerical methods.

openmdao-1

OpenMDAO 2.0 repository.

openml-r

R package to interface with OpenML

openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

openmm_scripts

Collection of Python scripts to setup and run simulations with OpenMM

openmoldb

Django based chemical database/inventory

opensourcemolecularmodeling.github.io

Catalog of Open Source Molecular Modeling Projects

openssl

Used by git2r, openssl

openxlsx

openxlsx package to keep the maintaince running

openxlsx2

openxlsx2 - read, write and modify xlsx files

opera

Command line application providing QSAR models predictions as well as applicability domain and accuracy assessment for physicochemical properties, environmental fate and toxicological endpoints. See releases to download latest compiled version.

operation-research-with-r

运筹学与R的最佳实践

operon

C++ Large Scale Genetic Programming

opitools

An R-package for opinion analysis of social media data

oplsaa-db

Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Gromacs, NAMD, CHARMM, LAMMPS, TINKER, CNS/X-PLOR, Q, DESMOND, BOSS and MCPRO.

optim

OptimLib: a lightweight C++ library of numerical optimization methods for nonlinear functions

optimization

optimization-algorithms

This is a paper list for recent studies on optimization algorithms.

optimlibr

An R wrapper for the optimlib library

optimparallel-r

optimtraj

A trajectory optimization library for Matlab

optuna

A hyperparameter optimization framework