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lines changed Original file line number Diff line number Diff line change @@ -9,17 +9,18 @@ channels:
99 - conda-forge
1010dependencies :
1111 - openff-amber-ff-ports=0.0.4=pyhca7485f_0
12- - openff-forcefields=2023.11 .0=pyhca7485f_0
13- - openff-interchange=0.3.18 =pyhd8ed1ab_0
14- - openff-interchange-base=0.3.18 =pyhd8ed1ab_0
15- - openff-models=0.1.1 =pyhca7485f_0
16- - openff-toolkit=0.14.5 =pyhd8ed1ab_1
17- - openff-toolkit-base=0.14.5 =pyhd8ed1ab_1
18- - openff-units=0.2.1=pyh1a96a4e_0
12+ - openff-forcefields=2024.04 .0=pyhca7485f_0
13+ - openff-interchange=0.3.27 =pyhd8ed1ab_0
14+ - openff-interchange-base=0.3.27 =pyhd8ed1ab_0
15+ - openff-models=0.1.2 =pyhca7485f_0
16+ - openff-toolkit=0.16.0 =pyhd8ed1ab_1
17+ - openff-toolkit-base=0.16.0 =pyhd8ed1ab_1
18+ - openff-units=0.2.2=pyhca7485f_0
1919 - openff-utilities=0.1.12=pyhd8ed1ab_0
20- - openmm=8.1.0=py39he81762f_1
21- - openmmforcefields=0.11.2=pyhd8ed1ab_1
20+ - openmm=8.1.1=py310h43b6314_1
21+ - openmmforcefields=0.12.0=pyhd8ed1ab_0
2222 - pdbfixer=1.9=pyh1a96a4e_0
23+ - python=3.10.14=hd12c33a_0_cpython
2324 - pip :
2425 - beartype
2526 - biopandas
Original file line number Diff line number Diff line change @@ -33,7 +33,7 @@ classifiers=[
3333dependencies = [
3434 # --------- pytorch --------- #
3535 " lightning>=2.1.3" ,
36- " torch= =2.3.0" ,
36+ " torch> =2.3.0" ,
3737 " torchmetrics>=1.2.0" ,
3838 " torchvision>=0.18.0" ,
3939
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