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21 Open 108 Closed
21 Open 108 Closed
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Issues list

対称性関数の計算速度改善
#273 opened Sep 18, 2020 by masayoshi-ogura
update to compatible for numpy1.16.2 and pyyaml higher than 4.1
#265 opened Jul 2, 2019 by eminamitani
原子組成が異なるデータを同時にトレーニングできるようにする
#263 opened Mar 18, 2019 by masayoshi-ogura
Index Error in executing prediction when data length < MPI.size 優先度：低
#261 opened Feb 4, 2019 by s-okugawa
atom sort problem
#259 opened Jan 17, 2019 by masayoshi-ogura
modify HDNNPDataset & DatasetGenerator class
#258 opened Jan 15, 2019 by masayoshi-ogura
1
improve the logging
#247 opened Jan 10, 2019 by masayoshi-ogura
add parameter search mode
#246 opened Jan 10, 2019 by masayoshi-ogura
modify prediction format
#240 opened Jan 5, 2019 by masayoshi-ogura
Build all necessary HDNNP instances from the beginning
#238 opened Dec 27, 2018 by masayoshi-ogura
Modify loss function
#220 opened Dec 5, 2018 by masayoshi-ogura
4
xyz file generation script with filtering option (max-force etc...)
#214 opened Nov 23, 2018 by eminamitani
1
create output subdirectory automatically or manually help wanted make it easy to use not significant, but better to change 優先度：低
#204 opened Nov 22, 2018 by masayoshi-ogura
@masayoshi-ogura
born effective charge prediction enhancement 優先度：高
#172 opened Jul 26, 2018 by masayoshi-ogura
4
add symmetry functions enhancement 優先度：低
#166 opened Jul 6, 2018 by masayoshi-ogura
directed symmetry function enhancement 優先度：高
#162 opened Jun 28, 2018 by masayoshi-ogura
@moriya616
学習データやトレーニング結果をデータベースで管理 enhancement 優先度：高
#150 opened May 20, 2018 by masayoshi-ogura
対称関数のパラメータをもう少し細かく wontfix 優先度：低
#125 opened Jan 16, 2018 by masayoshi-ogura
1
学習に２次微分を取り入れる wontfix 優先度：低
#107 opened Dec 14, 2017 by masayoshi-ogura
圧力をフィッティングに加える enhancement 優先度：低
#92 opened Oct 27, 2017 by masayoshi-ogura
1
構造ごとに学習時の重みを変える make it easy to use not significant, but better to change 優先度：低
#72 opened Sep 23, 2017 by masayoshi-ogura
ProTip! Exclude everything labeled bug with -label:bug.