rnaimehaom Goto Github PK

ontorxn

Chemical reaction network knowledge graphs: the OntoRXN ontology (copy of https://gitlab.com/dgarayr/ontorxn)

ontorxn_tools

Chemical reaction network knowledge graphs: the OntoRXN ontology (copied from https://gitlab.com/dgarayr/ontorxn_tools.git)

opam

opam is a source-based package manager. It supports multiple simultaneous compiler installations, flexible package constraints, and a Git-friendly development workflow.

open-source-molecular-modelling

open3dalign

mirror of https://svn.code.sf.net/p/open3dalign/open3dalign_svn/trunk

open3dqsar

mirror of https://svn.code.sf.net/p/open3dqsar/open3dqsar_svn/trunk

openbabel

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

openbabel-emolecules

openblas

OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.

opencadd

A Python library for structural cheminformatics

openchem

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

openchem-implementation-for-prediction-solubility

The code repository contains experimentation on the OpenChem Framework to predict solubilities of small molecules in organic solvents

openchemicalgraphlibrary

Open Chemical Graph Library

opencv

R bindings for OpenCV

opendmpk

Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmacokinetic properties of drug molecules.

opendrugdiscovery

Open Drug Discovery Toolkit

openfda-adverse-drug-reaction-prediction

openff-forcefields

Force fields produced by the Open Force Field Initiative

openff-toolkit

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

openfold

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

openfold_non_docker

OpenFold non-docker setup

openhardwaremonitor

Open Hardware Monitor

openimager

Image processing Toolkit in R

openmd

Molecular Dynamics in the Open

openml-r

R package to interface with OpenML

openmm

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

openmm-cookbook

Proof-of-concept for the OpenMM Cookbook

openmm-md

Lee-Ping's general purpose script for running OpenMM molecular dynamics simulations

openmm-tutorial-msbs

OpenMM tutorial for the MSBS course

openmmforcefields

CHARMM and AMBER forcefields for OpenMM (with small molecule support)