ipsuite

Dependencies (12)

• ase >=3.24.0
• laufband >=0.2.0
• lazy-loader >=0.4
• pint >=0.24.4
• rdkit2ase >=0.1.7
• seaborn >=0.13.2
• torch >=2.3.0
• torch-dftd >=0.5.1

+ 4 more

Dependencies (9)

• ase >=3.24.0
• laufband >=0.1.5
• lazy-loader >=0.4
• pint >=0.24.4
• rdkit2ase >=0.1.7
• seaborn >=0.13.2
• uncertainty-toolbox >=0.1.1
• znh5md >=0.4.7

+ 1 more

Dependencies (9)

• ase >=3.24.0
• cp2k-input-tools >=0.9.1
• laufband >=0.1.2
• lazy-loader >=0.4
• rdkit2ase >=0.1.4
• seaborn >=0.13.2
• uncertainty-toolbox >=0.1.1
• znh5md >=0.4.4

+ 1 more

Dependencies (8)

• ase >=3.24.0
• cp2k-input-tools >=0.9.1
• lazy-loader >=0.4
• rdkit2ase >=0.1.4
• seaborn >=0.13.2
• uncertainty-toolbox >=0.1.1
• znh5md >=0.4.4
• zntrack >=0.8.5

Dependencies (9)

• ase >=3.24.0
• cp2k-input-tools >=0.9.1
• cp2k-output-tools >=0.5.0
• lazy-loader >=0.4
• rdkit2ase >=0.1.4
• seaborn >=0.13.2
• uncertainty-toolbox >=0.1.1
• znh5md >=0.4.4

+ 1 more

Dependencies (9)

• ase <4.0,>=3.23
• cp2k-input-tools <0.10,>=0.9
• cp2k-output-tools <0.6.0,>=0.5.0
• lazy-loader ==0.4
• rdkit2ase <0.2.0,>=0.1.4
• seaborn <0.13.0,>=0.12.2
• uncertainty-toolbox <0.2.0,>=0.1.1
• znh5md <0.5.0,>=0.4.1

+ 1 more

Dependencies (9)

• ase <4.0,>=3.23
• cp2k-input-tools <0.10,>=0.9
• cp2k-output-tools <0.6.0,>=0.5.0
• lazy-loader ==0.4
• rdkit2ase <0.2.0,>=0.1.4
• seaborn <0.13.0,>=0.12.2
• uncertainty-toolbox <0.2.0,>=0.1.1
• znh5md <0.5.0,>=0.4.1

+ 1 more

Dependencies (9)

• ase <4.0,>=3.23
• cp2k-input-tools <0.10,>=0.9
• cp2k-output-tools <0.6.0,>=0.5.0
• lazy-loader ==0.4
• rdkit2ase <0.2.0,>=0.1.4
• seaborn <0.13.0,>=0.12.2
• uncertainty-toolbox <0.2.0,>=0.1.1
• znh5md <0.5,>=0.4

+ 1 more

Dependencies (9)

• ase <4.0,>=3.23
• cp2k-input-tools <0.10,>=0.9
• cp2k-output-tools <0.6.0,>=0.5.0
• lazy-loader ==0.4
• rdkit <2024,>=2023
• seaborn <0.13.0,>=0.12.2
• uncertainty-toolbox <0.2.0,>=0.1.1
• znh5md <0.4.0,>=0.3.6

+ 1 more

Dependencies (10)

• ase <4.0,>=3.23
• cp2k-input-tools <0.10,>=0.9
• cp2k-output-tools <0.6.0,>=0.5.0
• lazy-loader <0.3,>=0.2
• rdkit <2024,>=2023
• seaborn <0.13.0,>=0.12.2
• uncertainty-toolbox <0.2.0,>=0.1.1
• znflow <0.2.0,>=0.1.11

+ 2 more

Dependencies (15)

• ase <4.0.0,>=3.22.1
• cp2k-input-tools <0.10,>=0.9
• cp2k-output-tools <0.6.0,>=0.5.0
• dscribe <3.0.0,>=2.1.0
• h5py <4.0.0,>=3.8.0
• lazy-loader <0.3,>=0.2
• nequip <0.6.0,>=0.5.6
• quippy-ase <0.10.0,>=0.9.12

+ 7 more

Dependencies (14)

• ase >=3.22.1,<4.0.0
• cp2k-output-tools >=0.5.0,<0.6.0
• dscribe >=1.2.2,<2.0.0
• h5py >=3.8.0,<4.0.0
• lazy-loader >=0.2,<0.3
• nequip >=0.5.6,<0.6.0
• quippy-ase >=0.9.12,<0.10.0
• rdkit >=2023,<2024

+ 6 more

Dependencies (18)

• ase >=3.22.1,<4.0.0
• cp2k-input-tools >=0.8.2,<0.9.0
• cp2k-output-tools >=0.5.0,<0.6.0
• dscribe >=1.2.2,<2.0.0
• h5py >=3.8.0,<4.0.0
• lazy-loader >=0.2,<0.3
• libclang >=15,<16
• llvmlite >=0.39.1,<0.40.0

+ 10 more

Dependencies (18)

• ase >=3.22.1,<4.0.0
• cp2k-input-tools >=0.8.2,<0.9.0
• cp2k-output-tools >=0.5.0,<0.6.0
• dscribe >=1.2.2,<2.0.0
• h5py >=3.8.0,<4.0.0
• lazy-loader >=0.2,<0.3
• libclang >=15,<16
• llvmlite >=0.39.1,<0.40.0

+ 10 more