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ur-whitelab
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hoomd-tf
A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD
https://hoomd-tf.readthedocs.io
MIT License
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Hoomd v3 Support
#240
whitead
opened
4 years ago
6
Mapping trajectory
#239
mehradans92
opened
4 years ago
4
Added layers and new training options
#238
whitead
closed
4 years ago
4
Fixed README badge hyperlink
#237
hgandhi2411
closed
4 years ago
0
v102 release
#236
whitead
closed
4 years ago
0
Add ONNX Support
#235
whitead
closed
3 years ago
1
nlsit syntax updates
#234
whitead
closed
4 years ago
1
Added README badges
#233
whitead
closed
4 years ago
0
Continuous Integration
#232
hgandhi2411
closed
4 years ago
1
Sparse mapping function
#231
mehradans92
closed
4 years ago
1
Handling multi-beads in a molecule using sparse mapping function
#230
mehradans92
closed
4 years ago
0
v201 release
#229
whitead
closed
4 years ago
0
Fixed ordering of GPU disable
#228
whitead
closed
4 years ago
0
Gpu changes
#227
whitead
closed
4 years ago
0
Eds mean fix
#226
whitead
closed
4 years ago
0
utils compute_nlist types
#225
whitead
closed
4 years ago
0
Migrate Nlist to RaggedTensors
#224
whitead
closed
4 years ago
1
TF2 Port
#223
whitead
closed
4 years ago
1
Added release notes for v1.0.1
#222
whitead
closed
4 years ago
0
Mapping trajectory
#221
mehradans92
closed
4 years ago
2
Mapping assertion
#220
mehradans92
closed
4 years ago
1
Read mappings from CG mapper
#219
geemi725
closed
4 years ago
0
Saving data separate from model checkpoints
#218
whitead
closed
4 years ago
2
TF 2.0 Port
#217
whitead
closed
4 years ago
0
Implement a deep learning model in Keras to find CG potential
#216
hgandhi2411
opened
4 years ago
7
v2.0
#215
whitead
closed
3 years ago
2
Added check for skew in boxes and test
#214
whitead
closed
4 years ago
0
Skewed box issue
#213
mehradans92
closed
4 years ago
1
Added changelog for latest release and JOSS icon
#212
whitead
closed
4 years ago
0
Added wrap for batch steps to prevent overflow
#211
whitead
closed
4 years ago
1
Added doc on reducing logging level
#210
whitead
closed
4 years ago
0
Readthedocs
#209
RainierBarrett
closed
4 years ago
0
Issue 201 fix
#208
RainierBarrett
closed
4 years ago
0
Issue 201
#207
RainierBarrett
closed
4 years ago
3
WIP: Neighbor list improvements
#206
whitead
closed
4 years ago
1
Mapping
#205
mehradans92
closed
4 years ago
2
Generating a CG mapping matrix for a molecule
#204
mehradans92
closed
4 years ago
0
Issue 199
#203
RainierBarrett
closed
4 years ago
0
Issue 200
#202
RainierBarrett
closed
4 years ago
1
[JOSS] Tests and Benchmarks
#201
malramsay64
closed
4 years ago
4
[JOSS] Documentation and Readme
#200
RMeli
closed
4 years ago
4
[JOSS] Community Guidelines
#199
RMeli
closed
4 years ago
4
Revised Example Notebooks
#198
whitead
closed
4 years ago
2
[JOSS] Example Usage
#197
RMeli
closed
4 years ago
2
conditional imports for trajectory parsing
#196
geemi725
closed
4 years ago
1
Change default logging level
#195
whitead
closed
4 years ago
0
Added check on type for save_tensor
#194
whitead
closed
4 years ago
2
Added checks for neighbor list overflow and prevented GPU segfaults
#193
whitead
closed
4 years ago
1
[JOSS] Paper
#192
RMeli
closed
4 years ago
8
Better warning about nlist overflows
#191
whitead
closed
4 years ago
2
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