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5,151 to 5,160 of 5,293 Results
setup.py
Jan 24, 2022 - PyPlant: A Python Framework for Cached Function Pipelines
Python Source Code - 819 B - MD5: 5b46b4264acfc62e9d3abb47b254f8c5
specs.py
Jan 24, 2022 - PyPlant: A Python Framework for Cached Function Pipelines
Python Source Code - 5.9 KB - MD5: be360cc7a260a6c7f0554dc06cb24042
test_utils.py
Jan 24, 2022 - PyPlant: A Python Framework for Cached Function Pipelines
Python Source Code - 1.7 KB - MD5: 944da57768e7387b31125606182181e6
.travis.yml
Jan 24, 2022 - PyPlant: A Python Framework for Cached Function Pipelines
Unknown - 296 B - MD5: 2c64f372c34df4ba2fdd842e7e585df5
utils.py
Jan 24, 2022 - PyPlant: A Python Framework for Cached Function Pipelines
Python Source Code - 1.8 KB - MD5: f2146b1319a4f136413b4673f57805e1
utils_test.py
Jan 24, 2022 - PyPlant: A Python Framework for Cached Function Pipelines
Python Source Code - 1.6 KB - MD5: a7637c3ef2cde69ee73f9ad2d3dda91a
CB7.gro
Jan 16, 2022 - Supplementary material for 'Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange'
Unknown - 5.6 KB - MD5: 09821d8211a26494894920b1b5d544b5
Cartesian coordinates of the host molecule CB7 in .gro format.
CB7.top
Jan 16, 2022 - Supplementary material for 'Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange'
Unknown - 81.9 KB - MD5: 9e220cac8149daef0465ee4e3f0399fb
Topology file of the host molecule CB7 in .top format.
CB8.gro
Jan 16, 2022 - Supplementary material for 'Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange'
Unknown - 6.4 KB - MD5: ecbaf94327d0ac6087a430301564c398
Cartesian coordinates of the host molecule CB8 in .gro format.
CB8.top
Jan 16, 2022 - Supplementary material for 'Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange'
Unknown - 93.2 KB - MD5: 5b340db669d8cd2d04ccefa1fe064ba8
Topology file of the host molecule CB8 in .top format.
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