issues
search
aiqm
/
ANI1x_datasets
The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for organic molecules.
MIT License
55
stars
5
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
ANI energies
#7
virtualmartire
opened
9 months ago
0
Missing Quadrupole Constants?
#6
meschw04
opened
9 months ago
0
SMILES string
#5
shenoynikhil
opened
1 year ago
1
multiplicity of oxygen molecules
#4
njzjz
closed
2 years ago
2
Where are the data?
#3
virtualmartire
closed
2 years ago
1
ccsd(t) forces not included
#2
nickjbrowning
opened
3 years ago
1
Can't find the data?
#1
giadefa
closed
4 years ago
2