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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 scientific-computing scientificcomputing xray xraydiffraction

In a Nutshell, Force Field X...

GPL + Classpath Exception
Permitted

Commercial Use

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Include Copyright

State Changes

Include License

Include Install Instructions

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

This Project has No vulnerabilities Reported Against it

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Languages

Java
69%
XML Schema
19%
JavaScript
5%
9 Other
7%

30 Day Summary

Nov 2 2022 — Dec 2 2022

12 Month Summary

Dec 2 2021 — Dec 2 2022
  • 636 Commits
    Up + 227 (55%) from previous 12 months
  • 11 Contributors
    Up + 2 (22%) from previous 12 months

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