gnina/libmolgrid

Issues

• Saving in-memory cache to disk

  #119 opened 7 months ago by jacobdurrant
  8

• Specifying grid centers for all Examples in a batch

  #120 opened 8 months ago by jacobdurrant
  2

• How can I visualize my voxel grid

  #118 opened a year ago by drorhunvural
  1

• Simple example of multi-atom molecule to density to molecule

  #117 opened a year ago by GregorySchwing
  4

• General Question about AtomTyping

  #116 opened a year ago by GregorySchwing
  2

• SystemError importing molgrid

  #115 opened a year ago by nbruciaferri
  3

• Issue when install libmolgrid from source

  #114 opened a year ago by JonasLi-19
  9

• example code in libmolgrid github

  #113 opened 2 years ago by croshong
  4

• libmolgrid install error

  #111 opened 2 years ago by croshong
  1

• .

  #110 opened 2 years ago by ckami12138
  0

• Taking care of each region when creating a gninatype

  #109 opened 2 years ago by drorhunvural
  1

• data_root error while defining ExampleProvider

  #107 opened 2 years ago by drorhunvural
  3

• libmolgrid install in python2

  #108 opened 2 years ago by croshong
  1

• Is there a relationship between dataset structure and ExampleProvider

  #106 opened 2 years ago by drorhunvural
  5

• The ExampleProvider populate part is not working properly.

  #105 opened 2 years ago by drorhunvural
  7

• Attempting compilation for unknown architectures

  #104 opened 2 years ago by chedatomasz
  1

• libmolgrid issues about stratifying receptors

  #101 opened 2 years ago by YanjingLiLi
  1

• libmolgrid issue

  #100 opened 2 years ago by amarye
  4

• Libmolgrid does not provide consistent batching

  #99 opened 2 years ago by francoep
  2

• Conda forge package

  #98 opened 2 years ago by hadim
  2

• File Format Question

  #96 opened 2 years ago by drorhunvural
  2

• missing cuda know drivers to

  #95 opened 2 years ago by EricDeveaud
  0

• arm64 architecture support

  #94 opened 2 years ago by czabriskie
  1

• Pip Installation Error

  #93 opened 2 years ago by drorhunvural
  1

• Cannot pip install

  #90 opened 2 years ago by emarsh25
  3

• Installation

  #85 opened 3 years ago by kadiliissaar
  11

• Error in pytest

  #87 opened 3 years ago by lh12565
  5

• CUDA error

  #83 opened 3 years ago by JIBSN
  2

• cannot install from source (make error)

  #84 opened 3 years ago by sll513
  6

• Is there any plan of making an OpenCL accelerated version for non-CUDA users?

  #82 opened 3 years ago by CoryKornowicz
  1

• make error

  #81 opened 3 years ago by hanshangjin
  3

• Consistency of Voxels from PDB format versus gninatypes

  #78 opened 3 years ago by JoshuaMeyers
  6

• process froze when calling next_batch

  #79 opened 3 years ago by yuanqidu
  7

• can I get point clouds?

  #80 opened 3 years ago by likun1212
  1

• Protein only

  #76 opened 3 years ago by JoshuaMeyers
  4

• Iterating over ExampleDataset

  #77 opened 3 years ago by JoshuaMeyers
  1

• Operating on pairs of inputs

  #75 opened 3 years ago by JoshuaMeyers
  3

• cmake error

  #74 opened 3 years ago by HBioquant
  1

• how to make the grid density much sharper?

  #72 opened 3 years ago by yangxiufengsia
  2

• Memory leak using CoordinateSet init with OBMol

  #73 opened 3 years ago by bbaillif
  2

• Imports fail in "Grid single molecule" tutorial

  #70 opened 3 years ago by mgarort
  3

• How to voxelize a single .pdb file?

  #69 opened 3 years ago by mangalp
  2

• RDKit failures if molgrid is imported first

  #65 opened 4 years ago by RMeli
  5

• Segmentation fault with CoordinateSet in Python

  #62 opened 4 years ago by RMeli
  7

• Does libmolgrid allows pytorch distribtued data parallel?

  #60 opened 3 years ago by yangxiufengsia
  20

• Is it possible to know the set of examples next_batch extracts?

  #68 opened 3 years ago by shikhar2333
  4

• atom type values higher than 1 when resolution is 1

  #67 opened 3 years ago by mgm-14392
  3

• "CUDA Error: invalid argument" when use molgrid.GridMaker in multi-GPU setting

  #66 opened 3 years ago by KuNyaa
  4

• Behavior for only ligands in types file and ExampleProvider

  #64 opened 4 years ago by mgm-14392
  2

• Missing attribute __version__

  #61 opened 4 years ago by RMeli
  1