Giters
proteneer
/
khan
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Stargazers:
11
Watchers:
5
Issues:
34
Forks:
6
proteneer/khan Issues
Network files?
Updated
6 years ago
Comments count
7
MultiGPU: Check failed: IsAligned()
Updated
6 years ago
plugin for openMM
Updated
6 years ago
Upload a pre-trained model
Updated
6 years ago
Comments count
2
Add fittable "sqrt(A*B)/r^6 terms," analogous to the charge terms already added
Updated
6 years ago
Comments count
4
Run-time parameter change
Updated
6 years ago
Comments count
1
3-way merge
Closed
6 years ago
Comments count
1
Expose ability to change activation function
Closed
6 years ago
Comments count
1
Serialize models
Updated
6 years ago
Comments count
1
Convolution - make connections not always dense
Updated
6 years ago
Comments count
1
Remove 32 atom limit
Closed
6 years ago
Comments count
1
Optimize numerical accuracy in featurization gradients
Closed
6 years ago
Comments count
3
Training against gradients, at least for equilibrium geometries (pull gradients toward zero)
Updated
6 years ago
Comments count
4
Implement double precision variant of all custom ops
Closed
6 years ago
Comments count
1
modify save load to be in 64bit
Closed
6 years ago
Comments count
1
Stabilize code
Updated
6 years ago
port gradient of the featurization to the GPU
Updated
6 years ago
Comments count
1
Add ability to specify tower variable names
Closed
6 years ago
Comments count
1
Return featurizations
Closed
6 years ago
Comments count
2
modify Makefile so it could be built without GPU kernels
Closed
6 years ago
Comments count
1
Add TravisCI tests
Updated
6 years ago
Expand beyond CNOH
Updated
6 years ago
Comments count
1
simple gpu kernels for charge
Closed
6 years ago
Comments count
1
Analytic Gradients
Closed
6 years ago
Comments count
1
Add support for Kq1q2/r fitting
Closed
6 years ago
Comments count
2
Update Makefile to include .h files
Closed
6 years ago
Comments count
1
CPU Featurizer
Closed
6 years ago
Comments count
1
Allow for modification of featurization settings without a recompile
Closed
6 years ago
Comments count
1
Remove GPU check
Closed
6 years ago
Comments count
1
GPU kernel improvements
Updated
6 years ago
Comments count
2
Activation function for atom_nn
Closed
6 years ago
Comments count
2
optimize dataset loading more
Closed
6 years ago
Comments count
2
cythonize featurizer.
Closed
6 years ago
Comments count
1
multi-GPU training
Closed
6 years ago
Comments count
1