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Mapping trajectory#239

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mehradans92 wants to merge 63 commits intomasterur-whitelab/hoomd-tf:masterfrom mapping_traj_v2ur-whitelab/hoomd-tf:mapping_traj_v2Copy head branch name to clipboard

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Commits on Jul 9, 2020

• last commit

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  c3774a7

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Commits on Jul 17, 2020

• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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  ee6ffba

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Commits on Jul 20, 2020

• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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Commits on Jul 21, 2020

• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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  f894af6

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• removed redundant files

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Commits on Aug 11, 2020

• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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Commits on Aug 13, 2020

• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

  mehradans92

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  e322e40

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• need to add find_molecules_from_traj function from v1

  mehradans92

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Commits on Sep 1, 2020

• defined mapping workflow

  mehradans92

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  1210e2a

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• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

  mehradans92

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  e30b6d0

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• Merge branch 'master' into mapping_traj_v2

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  42ac417

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• included forcematching

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Commits on Sep 14, 2020

• added unittests for mapping_matrix and find_molecules_from_traj function, fixed import mda importing

  mehradans92

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• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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• Merge branch 'master' into mapping_traj_v2

  mehradans92

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  c6d3e6d

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• fixed the path to loaded test_trajectory

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• fixed the path to loaded test_trajectory

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Commits on Oct 31, 2020

• added mapped forces

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• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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Commits on Feb 4, 2021

• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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Commits on Feb 10, 2021

• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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  39ae6d5

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• resolved merge conflicts

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Commits on Feb 11, 2021

• defined compute_ohe_bead_type_interactions method in utils.py

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• resolved merge conflicts

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  738116b

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• revised method details

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• fixed n_btypes description

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Commits on Feb 12, 2021

• revised compute_ohe_bead_type_interactions function in tensorflow

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  8b67de1

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• revised definition

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Commits on Feb 16, 2021

• added new method to compute beadtype interactions as ohe

  mehradans92

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Commits on Feb 17, 2021

• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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Commits on Feb 18, 2021

• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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• resolved merge conflicts

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Commits on Feb 23, 2021

• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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Commits on Mar 3, 2021

• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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Commits on Mar 8, 2021

• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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Commits on Mar 10, 2021

• added name to WCA layer

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• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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• Merge branch 'master' into save_model

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  d7cc1b1

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• updated notebook

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• Merge branch 'save_model' into mapping_traj_v2

  mehradans92

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  93c39da

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• added result files

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• resolved merge conflicts

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• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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Commits on Mar 11, 2021

• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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• Fixed conflicts

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Commits on Mar 16, 2021

• updated branch, added higher l1 reg, added saved weights

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• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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• Merge branch 'master' into mapping_traj_v2

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Commits on May 18, 2021

• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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• Merge branch 'master' into mapping_traj_v2

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• prepared inference model, need to debug angle type

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Commits on Sep 3, 2021

• updated notebook

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• Merge branch 'master' of https://github.com/ur-whitelab/hoomd-tf

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• Merge branch 'master' into mapping_traj_v2

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• added potential comparison, fit it poor

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