1. Andrew Peterson Avatar Andrew Peterson
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  3. Amp

Issues

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Issues (26–50 of 238)

Title T P Status Votes Assignee Created Updated Actions
#213: Optimization failure for anything other than BFGS algorithm
bug minor new
#219: Example script stopped working
bug major new
#212: Adding a method to calculate the RMSE of a validation set
proposal minor resolved
#218: Force loss function
bug major resolved
#217: Overfit needs scaling parameters removed
bug major new
#200: Kernel Ridge Regression Model
enhancement major resolved
#216: convert Amp object into PROPhet input file
bug major resolved
#182: amp crashes when more than 30 child processes are launched
bug major resolved
#191: tensorflow 0.11.0, amp v0.6
bug major resolved
#205: NodePlot
bug minor resolved
#211: UnicodeDeconderError in calculating energy using trained neural network
bug major resolved
#173: Remove randomness from tests
bug major resolved
#193: Training steps take variable amount of time
bug major new
#195: Check and Improve Documentation
enhancement major resolved
#214: Need docs, unit tests for KRR
bug major new
#152: Add `requirements.txt` file to be used with pip
proposal minor resolved
#143: Does Amp work with python3?
proposal major resolved
#208: get_hash function gives me identical hash for different atoms when the size is large
bug critical resolved
#202: default Gaussian descriptor values
task minor resolved
#127: Problems setting basinhopping optimizer
bug major closed
#181: 3 tests failed, last hung on 10th test
bug major closed 1
#171: Check if macOS has a python2 symlink pointing to most up-to-date python2 version
bug major closed
#210: Initial weight for retraining?
task major resolved
#209: How to get the weights in .amp file after training?
task major closed
#207: Amp says it has converged but RMSE from self calculation is much higher than convergence criterion
bug critical closed
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