simple-dftd3 VS Q6

Compare simple-dftd3 vs Q6 and see what are their differences.

simple-dftd3

reimplementation of the DFT-D3 program (by dftd3)
quantum-chemistry dispersion-correction ase computational-chemistry pyscf qcschema
Source Code
dftd3.readthedocs.io
Suggest alternative
Edit details

Q6

Q6 Repository -- EVB, FEP and LIE simulator. (by qusers)
evb molecular-dynamics computational-chemistry molecular-modeling molecular-simulation empirical-valence-bond
Source Code
Suggest alternative
Edit details
InfluxDB - Power Real-Time Data Analytics at Scale
Get real-time insights from all types of time series data with InfluxDB. Ingest, query, and analyze billions of data points in real-time with unbounded cardinality.
www.influxdata.com
featured
SaaSHub - Software Alternatives and Reviews
SaaSHub helps you find the best software and product alternatives
www.saashub.com
featured
simple-dftd3 Q6
1 1
43 31
- -
4.4 3.2
1 day ago 6 months ago
Fortran Fortran
GNU Lesser General Public License v3.0 only GNU General Public License v3.0 or later
The number of mentions indicates the total number of mentions that we've tracked plus the number of user suggested alternatives.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.

simple-dftd3

Posts with mentions or reviews of simple-dftd3. We have used some of these posts to build our list of alternatives and similar projects.

Q6

Posts with mentions or reviews of Q6. We have used some of these posts to build our list of alternatives and similar projects.
  • EVB(Empirical Valence Bond) in Gromacs?
    1 project | /r/comp_chem | 12 May 2021
    That being said, reading just the first papers that showed up on google, it looks like Q6 is an opensource software that is based on Gromacs and has a similar input/output regime as Gromacs that is capable of doing EVB. Repo is here: https://github.com/qusers/Q6

What are some alternatives?

When comparing simple-dftd3 and Q6 you can also consider the following projects:

nwchem - NWChem: Open Source High-Performance Computational Chemistry

awesome-python-chemistry - A curated list of Python packages related to chemistry

xtb - Semiempirical Extended Tight-Binding Program Package

Molly.jl - Molecular simulation in Julia

simple-dftd3 vs nwchem Q6 vs awesome-python-chemistry Q6 vs xtb Q6 vs Molly.jl Q6 vs nwchem