Focused crawls are collections of frequently-updated webcrawl data from narrow (as opposed to broad or wide) web crawls, often focused on a single domain or subdomain.
Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.
ls1-MarDyn is a massively parallel Molecular Dynamics (MD) code for large systems. Its main target is the simulation of thermodynamics and nanofluidics. ls1-MarDyn is designed with a focus on performance and easy extensibility.
Is your feature request related to a problem? Please describe.
Currently it is difficult to keep track of which tests are present and which should be implemented. Describe the solution you'd like
Given that it is a C++ project, it makes sense to use lcov
This repository contains the code for simulating the growth of a Biofilm after attachment using Molecular dynamics simulation methods. The project was build as part of the iGEM 2020 Contest. The BiofilmSimulation software can be installed as A python package, documented under https://pypi.org/project/BiofilmSimulation.
SENPAI does not yet understand the concept of bond torsion.
As an example, ethylene is supposed to be a planar molecule, but SENPAI will allow unrestricted rotation over the C=C double bond.
