Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / lanl/hippynn issues and pull requests
#99 - Add pytorch lightning trainer
Pull Request -
State: closed - Opened by lubbersnick 24 days ago
#98 - Add coarse-graining example
Pull Request -
State: open - Opened by shinkle-lanl 27 days ago
- 3 comments
#97 - change setup to include pyproject.toml file
Pull Request -
State: open - Opened by shinkle-lanl 27 days ago
- 1 comment
#96 - Add mechanism for creating networks from plaintext or similar
Issue -
State: open - Opened by lubbersnick 27 days ago
#95 - Update setup to use pyproject.toml file to retain option for editable installation with pip>=25.0
Issue -
State: open - Opened by shinkle-lanl 28 days ago
#94 - Ensure torch.load kwarg weights_only is set explicitly in preparation for future PyTorch change
Issue -
State: open - Opened by shinkle-lanl 28 days ago
#93 - Check cuda device capability for triton kernel initialization.
Pull Request -
State: closed - Opened by sakibmatin about 1 month ago
- 1 comment
#92 - Improve speed of bond order regression
Pull Request -
State: closed - Opened by lubbersnick about 1 month ago
#91 - update MLIAP to better find unavailable devices.
Pull Request -
State: closed - Opened by lubbersnick about 1 month ago
#90 - Add units to lammps interface and fix kokkos+cpu bug.
Pull Request -
State: closed - Opened by lubbersnick about 2 months ago
#89 - add hippynn/InferenceTools.py
Pull Request -
State: open - Opened by amateurcat about 2 months ago
#88 - Collate functions for automatically finding/build node information.
Issue -
State: open - Opened by lubbersnick about 2 months ago
Labels: enhancement
#87 - Fix bug with custom kernels not working on non-default device.
Pull Request -
State: closed - Opened by lubbersnick about 2 months ago
#86 - Add database features
Pull Request -
State: closed - Opened by lubbersnick about 2 months ago
- 1 comment
#85 - Added variable to limit pytorch memory in lammps interface
Pull Request -
State: closed - Opened by bnebgen-LANL 2 months ago
- 1 comment
#84 - [WIP] Add custom triton kernels
Pull Request -
State: closed - Opened by cagrikymk 2 months ago
- 23 comments
#83 - Enabled removing leading comments from json DB
Pull Request -
State: closed - Opened by bnebgen-LANL 3 months ago
- 1 comment
#82 - Update Optimizer
Pull Request -
State: closed - Opened by amateurcat 3 months ago
- 2 comments
#81 - minor changes to MD code & its documentation
Pull Request -
State: closed - Opened by shinkle-lanl 3 months ago
#80 - fix imports issue causing error when building docs
Pull Request -
State: closed - Opened by shinkle-lanl 3 months ago
#79 - update docstring format in molecular_dynamics/md.py for compatibility with sphinx
Pull Request -
State: closed - Opened by shinkle-lanl 3 months ago
#78 - 06102024 add optimizer/ with batch FIRE algorithm implemented with py…
Pull Request -
State: closed - Opened by amateurcat 4 months ago
- 1 comment
#77 - add documentation for new md code
Pull Request -
State: closed - Opened by shinkle-lanl 4 months ago
#76 - add documentation for new md code
Pull Request -
State: closed - Opened by shinkle-lanl 4 months ago
#75 - update documentation
Pull Request -
State: closed - Opened by shinkle-lanl 4 months ago
#74 - Add unit flexibility when building lammps interface
Issue -
State: closed - Opened by lubbersnick 4 months ago
- 1 comment
#73 - fix coordinate wrapping issue
Pull Request -
State: closed - Opened by shinkle-lanl 4 months ago
#72 - example of charge modeling
Issue -
State: open - Opened by mofeilu 4 months ago
- 1 comment
#71 - Add custom MD driver and improve pairfinder memory performance
Pull Request -
State: closed - Opened by shinkle-lanl 5 months ago
- 2 comments
#70 - Added write_h5 function
Pull Request -
State: closed - Opened by bnebgen-LANL 5 months ago
#69 - add functionality for writing ANI h5 files
Issue -
State: closed - Opened by lubbersnick 5 months ago
- 2 comments
Labels: enhancement
#68 - Ensemble creation feature
Pull Request -
State: closed - Opened by lubbersnick 6 months ago
#67 - Depreciation warning for argument on PyTorch ReduceLROnPlateau function
Issue -
State: open - Opened by EShinkle1 6 months ago
#66 - energy initialization
Pull Request -
State: closed - Opened by EShinkle1 6 months ago
#65 - remove need for backwards compatibility operation in feature nodes
Pull Request -
State: closed - Opened by lubbersnick 6 months ago
#64 - Deploy versioneer 0.29
Pull Request -
State: closed - Opened by lubbersnick 6 months ago
- 1 comment
#63 - add weights for loss functions
Pull Request -
State: closed - Opened by lubbersnick 6 months ago
#62 - add features and example for using them
Pull Request -
State: closed - Opened by lubbersnick 6 months ago
#61 - Installation issues for python version 3.12
Issue -
State: closed - Opened by sakibmatin 6 months ago
- 2 comments
#60 - Possible fix to hippynn via mliap interface CPU failure
Issue -
State: closed - Opened by Montana 8 months ago
- 1 comment
#59 - Updated Cusp Regularization
Pull Request -
State: closed - Opened by sakibmatin 8 months ago
- 6 comments
#58 - Add timeplot scaling setting
Pull Request -
State: closed - Opened by EShinkle1 8 months ago
- 1 comment
#57 - Update version in docs
Pull Request -
State: closed - Opened by EShinkle1 8 months ago
#56 - For updating to python 3.9
Pull Request -
State: closed - Opened by lubbersnick 9 months ago
- 2 comments
#55 - Update minimum python version to 3.9
Issue -
State: closed - Opened by lubbersnick 9 months ago
- 3 comments
#54 - Using hippynn via mliap interface on CPU causes it to fail
Issue -
State: closed - Opened by wusatosi 9 months ago
- 6 comments
#53 - Add MultiGradient node and implement minor improvements and bug fixes for KDTree and Memory nodes
Pull Request -
State: closed - Opened by EShinkle1 9 months ago
- 1 comment
#52 - Fix vecmag class from earlier modification
Pull Request -
State: closed - Opened by bnebgen-LANL 9 months ago
#51 - Added feature for saving checkpoint every certain epochs
Pull Request -
State: closed - Opened by peterli3819 10 months ago
- 1 comment
#50 - Add fuzzy histogram, pair-finder memory, and KD Tree pair-finder nodes; fix bugs
Pull Request -
State: closed - Opened by EShinkle1 10 months ago
- 3 comments
#49 - Allow ASE dbs with not all same entries.
Pull Request -
State: closed - Opened by mgt16-LANL 10 months ago
- 1 comment
#48 - Lammps null fix
Pull Request -
State: closed - Opened by bnebgen-LANL 11 months ago
- 1 comment
#47 - add example for finding close contacts
Pull Request -
State: closed - Opened by lubbersnick 11 months ago
#46 - convert fitting of e0 to take place in float64
Pull Request -
State: closed - Opened by lubbersnick 11 months ago
#45 - Fix numerical stability of e0 determination.
Issue -
State: closed - Opened by lubbersnick 12 months ago
#44 - Interface fix
Pull Request -
State: closed - Opened by bnebgen-LANL 12 months ago
- 1 comment
#43 - Example needed for finding close contacts in datasets
Issue -
State: closed - Opened by lubbersnick 12 months ago
- 1 comment
#42 - Nodes, docs, and an example for excited states
Pull Request -
State: closed - Opened by tautomer about 1 year ago
- 7 comments
#41 - Request for group weights
Issue -
State: closed - Opened by rohskopf about 1 year ago
#40 - add example of how to use pair finding in isolation
Pull Request -
State: closed - Opened by lubbersnick about 1 year ago
#39 - Allow variable stepping APIs for different optimizers
Pull Request -
State: closed - Opened by lubbersnick about 1 year ago
#38 - mliap interface works with hipnn-coulomb architecture
Pull Request -
State: closed - Opened by sakibmatin about 1 year ago
- 4 comments
#37 - Variable inner loops for different optimizers
Issue -
State: closed - Opened by lubbersnick about 1 year ago
Labels: enhancement
#36 - Easy training restarts
Issue -
State: open - Opened by lubbersnick about 1 year ago
- 1 comment
Labels: enhancement
#35 - add NotImplementedError for set_e0_values when using custom InputNodes
Pull Request -
State: closed - Opened by EShinkle1 about 1 year ago
#34 - Switch git clone url from ssh to https in docs
Pull Request -
State: closed - Opened by tautomer about 1 year ago
#33 - Generalize ASE DB import.
Pull Request -
State: closed - Opened by mgt16-LANL over 1 year ago
- 8 comments
#32 - unnecessary index type constraint for vectors (#31)
Pull Request -
State: closed - Opened by lubbersnick over 1 year ago
#31 - unnecessary index type constraint for vectors
Pull Request -
State: closed - Opened by lubbersnick over 1 year ago
#30 - Added database options to remove outlier data
Pull Request -
State: closed - Opened by bnebgen-LANL over 1 year ago
#29 - Adjustments to ase_interface:
Pull Request -
State: closed - Opened by bnebgen-LANL over 1 year ago
#28 - Fix a bug in setting up custom kernels
Pull Request -
State: closed - Opened by tautomer over 1 year ago
#27 - Initial version of lammps interface compatible with kokkos
Pull Request -
State: closed - Opened by lubbersnick over 1 year ago
#26 - Filters for Pair Indexers
Pull Request -
State: closed - Opened by sakibmatin over 1 year ago
- 1 comment
#25 - CombineScreenings Module
Pull Request -
State: closed - Opened by sakibmatin almost 2 years ago
#24 - Add versioneer to get version from git tags
Pull Request -
State: closed - Opened by jan-janssen almost 2 years ago
- 2 comments
#23 - Merge 0.0.1 from development back to main
Pull Request -
State: closed - Opened by lubbersnick almost 2 years ago
#22 - Fix email address to work with pypi
Pull Request -
State: closed - Opened by jan-janssen almost 2 years ago
#21 - [WIP] Fix restart & multi-target dipole
Pull Request -
State: closed - Opened by tautomer almost 2 years ago
- 3 comments
#20 - Bens bugfix
Pull Request -
State: closed - Opened by bnebgen-LANL almost 2 years ago
#19 - Bens bugfix
Pull Request -
State: closed - Opened by bnebgen-LANL almost 2 years ago
#18 - Fix settings and low distance warning
Pull Request -
State: closed - Opened by tautomer almost 2 years ago
- 1 comment
#17 - Auto build docs via Actions
Pull Request -
State: closed - Opened by tautomer almost 2 years ago
- 4 comments
#16 - 'Glue-on' Method for damping Coulomb Interactions Locally.
Pull Request -
State: closed - Opened by sakibmatin almost 2 years ago
- 4 comments
#15 - Fix a optimizer device problem
Pull Request -
State: closed - Opened by tautomer almost 2 years ago
- 2 comments
#14 - Proper device handling for restart
Pull Request -
State: closed - Opened by tautomer almost 2 years ago
- 9 comments
#13 - Transparent plot, doc update, and some misc updates
Pull Request -
State: closed - Opened by tautomer almost 2 years ago
- 1 comment
#12 - Fix a problem with torch RNG when restarting
Pull Request -
State: closed - Opened by tautomer almost 2 years ago
- 11 comments
#11 - Update calculator.py
Pull Request -
State: closed - Opened by bnebgen-LANL about 2 years ago
#10 - LAMMPS ML-IAP Interface
Pull Request -
State: closed - Opened by Boogie3D about 2 years ago
- 4 comments
#9 - Environment variable HIPPYNN_PROGRESS not handled correctly
Pull Request -
State: closed - Opened by tautomer about 2 years ago
#8 - Allow HIPNN to work with ASE Mixing Calculators
Pull Request -
State: closed - Opened by MChigaev over 2 years ago
#7 - Fixed missing parenthesis.
Pull Request -
State: closed - Opened by sakibmatin over 2 years ago
#6 - Change model.pkl to model.pt, as models now save as .pt
Pull Request -
State: closed - Opened by MChigaev over 2 years ago
#5 - Fix typo, modoel -> model, and change best_checkpoint.pkl to best_checkpoint.pt, as models and checkpoints save now as .pt
Pull Request -
State: closed - Opened by MChigaev over 2 years ago
- 2 comments
#4 - Add ase database parser.
Pull Request -
State: closed - Opened by mgt16 over 2 years ago
- 2 comments
#3 - ASE calculator fix
Pull Request -
State: closed - Opened by jan-janssen over 2 years ago
- 1 comment
#2 - Simplify the installation
Pull Request -
State: closed - Opened by jan-janssen over 2 years ago
- 1 comment
#1 - [Feature Request] Upload library to a package index
Issue -
State: closed - Opened by SauravMaheshkar almost 3 years ago