Issues
- 2
libcublas (conda-forge) not recognized
#46 opened by marcodigennaro - 5
- 4
- 4
ImportError: ~/src/ASE_ANI/lib/libboost_python.so.1.63.0: undefined symbol: _Py_fopen
#45 opened by UnixJunkie - 9
Cuda 9.1/9.2 support
#18 opened by moskalenko - 4
problem installing ASED3
#24 opened by icamps - 2
libAEV.so can not open
#25 opened by Gvinkc - 3
- 2
- 3
install script
#42 opened by UnixJunkie - 2
support for CUDA/11.7.0
#41 opened by pojeda - 1
Inclusion of Point Charge
#40 opened by ThorrenKirschbaum - 6
- 2
Libraries for OpenMM-ANI
#31 opened by virginia2019 - 1
libAtomicNNP.so: undefined symbol
#32 opened by saeid-lab - 0
ANI-2x training data set
#39 opened by JMorado - 0
ANI-2X
#35 opened by boyuezhong - 4
Periodic Boundary Conditions
#34 opened by t-s-hofer - 1
- 3
- 7
- 1
geometry optimization doesn't work
#23 opened by wen-xl - 15
Portable version?
#19 opened by jchodera - 2
Would angluar shifts from 0 to +pi be sufficient?
#20 opened by bgobbi - 2
Clarification on training the model
#17 opened by siddharthal - 1
wB97 single vs double precision?
#16 opened by proteneer - 1
Dataset with forces?
#15 opened by proteneer - 4
Parameter sets
#14 opened by proteneer - 5
Training on atomization or absolute energies?
#12 opened by proteneer - 3
Clarification on cross val splits?
#13 opened by proteneer - 1
Clarification on the exponential loss function
#11 opened by proteneer - 1
Experimental Support for F and S
#10 opened by Dom1L - 1
Gaussian Activation Functions
#9 opened by lilleswing - 1
D3 is currently broken
#7 opened by isayev - 12
Full training set?
#8 opened by proteneer - 1
- 2