pyup-update-coveralls-2.1.2-to-2.2.0
5 years, 1 month ago
Update coveralls from 2.1.2 to 2.2.0
No dependencies with known security vulnerabilities.
pyup-update-sphinx-3.2.1-to-3.3.1
5 years, 1 month ago
Update sphinx from 3.2.1 to 3.3.1
No dependencies with known security vulnerabilities.
own_ase_calculators
5 years, 1 month ago
ase calculator with automatic differentiation capabilities - first version
No dependencies with known security vulnerabilities.
master
5 years, 1 month ago
Merge pull request #147 from OMalenfantThuot/improvements
new class method for posinp, from_ase
No dependencies with known security vulnerabilities.
pyup-update-sphinx-3.2.1-to-3.3.0
5 years, 1 month ago
Update sphinx from 3.2.1 to 3.3.0
No dependencies with known security vulnerabilities.
pyup-update-numpy-1.19.2-to-1.19.4
5 years, 1 month ago
Update numpy from 1.19.2 to 1.19.4
No dependencies with known security vulnerabilities.
improvements
5 years, 1 month ago
new class method for posinp, from_ase
No dependencies with known security vulnerabilities.
pyup-update-pytest-6.1.1-to-6.1.2
5 years, 1 month ago
Update pytest from 6.1.1 to 6.1.2
No dependencies with known security vulnerabilities.
pyup-update-numpy-1.19.2-to-1.19.3
5 years, 1 month ago
Update numpy from 1.19.2 to 1.19.3
No dependencies with known security vulnerabilities.
pyup-update-torchvision-0.8.0-to-0.8.1
5 years, 1 month ago
Update torchvision from 0.8.0 to 0.8.1
No dependencies with known security vulnerabilities.
master
5 years, 1 month ago
Merge pull request #141 from OMalenfantThuot/pyup-update-torchvision-0.7.0-to-0.8.0
Update torchvis
No dependencies with known security vulnerabilities.
pyup-update-torchvision-0.7.0-to-0.8.0
5 years, 1 month ago
Update schnetpack.py
No dependencies with known security vulnerabilities.
pyup-update-torchvision-0.7.0-to-0.8.0
5 years, 1 month ago
Update requirements_dev.txt
No dependencies with known security vulnerabilities.
pyup-update-torchvision-0.7.0-to-0.8.0
5 years, 1 month ago
Update torchvision from 0.7.0 to 0.8.0
No dependencies with known security vulnerabilities.
pyup-update-torch-1.6.0-to-1.7.0
5 years, 1 month ago
Update torch from 1.6.0 to 1.7.0
No dependencies with known security vulnerabilities.
