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Project Summary

Force Field X (FFX) is a group of open source (GPL v. 3 with Linking Exception), platform independent modules for molecular biophysics. Key methods include:
1) Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force fields
2) Particle-mesh Ewald (PME) electrostatics with support for space group symmetry
3) Generalized Kirkwood continuum electrostatics
4) Single and Dual-Topology Orthogonal Space Random Walk (OSRW) free energy methods
5) L-BFGS, Simulated Annealing and Dead-End Elimination optimization algorithms
6) Reciprocal space refinement for X-ray and Neutron Diffraction data sets
7) Real space refinement for X-ray Diffraction, Neutron Diffraction and CryoEM data sets
8) Shared memory, cluster parallel and coprocessor based parallelization strategies

Tags

drug-design gpu java molecular-dynamics molecular-modelling molecular-simulation parallel protein protein-kinase protein-structure scientificcomputing scientific-computing xray xraydiffraction

In a Nutshell, Force Field X...

GPL + Classpath Exception
Permitted

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Modify

Use Patent Claims

Commercial Use

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Hold Liable

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Include Copyright

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Distribute Original

Include License

Disclose Source

Include Install Instructions

These details are provided for information only. No information here is legal advice and should not be used as such.

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This Project has No vulnerabilities Reported Against it

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Languages

Languages?height=75&width=75
Java
70%
XML Schema
20%
JavaScript
5%
9 Other
5%

30 Day Summary

Sep 11 2018 — Oct 11 2018

12 Month Summary

Oct 11 2017 — Oct 11 2018
  • 864 Commits
    Up + 219 (33%) from previous 12 months
  • 12 Contributors
    Down -2 (14%) from previous 12 months

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