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• Phase 6: Ecosystem (v2.5+)

  Performance (Rayon, SIMD, neighbor lists), Python bindings (PyO3), tutorials, documentation, CLI run/init.

  No due date

  •0/10 issues closed
  0% complete10 open0 closed

• Phase 5: Analysis (v2.1+)

  Post-processing: RDF, MSD, Rg, S(q), autocorrelation, Green-Kubo viscosity, Tg by simulation.

  No due date

  •0/11 issues closed
  0% complete11 open0 closed

• Phase 4: Simulation Engines (v2.0+)

  Force fields (TraPPE-UA, OPLS-AA), MD (velocity Verlet, NVT/NPT), MC (Metropolis, CBMC, Wang-Landau), DPD.

  No due date

  •0/12 issues closed
  0% complete12 open0 closed

• Phase 3: 3D Generation + Desktop App (v1.1-v1.5)

  Topology data structures, 3D coordinate generation (random walk, RIS), simulation box with PBC, file I/O (LAMMPS, GROMACS, PDB), desktop application for visualization.

  No due date

  •0/17 issues closed
  0% complete17 open0 closed

• Phase 2: Property Predictions (v0.6-v1.0)

  Group contribution methods (Van Krevelen, Bicerano). Predict: Tg, Tm, density, solubility (Hildebrand, Hansen), mechanical, optical, transport properties.

  No due date

  •0/17 issues closed
  0% complete17 open0 closed

• Phase 1: Polymer Architectures (v0.3-v0.5)

  Complete all polymer architectures: copolymers (random, alternating, block, gradient), branched (comb, star, graft, dendrimer), cyclic. Enrich PolymerChain representation.

  No due date

  •14/14 issues closed
  100% complete0 open14 closed