Issues

• MacOS X version of libmolgrid, PR in new branch?

  gnina/libmolgrid#126 · Filter by author fnachon opened on Mar 31, 2026
  1

• Can libmolgrid be installed on osx?

  gnina/libmolgrid#125 · Filter by author Scinawa opened on Apr 13, 2025
  1

• The same atom typer for receptor and ligand

  gnina/libmolgrid#124 · Filter by author Jalil-Mahdizadeh opened on Mar 29, 2025
  2

• example code in libmolgrid github

  gnina/libmolgrid#113 · Filter by author croshong opened on Apr 17, 2023
  4

• libmolgrid install error

  gnina/libmolgrid#111 · Filter by author croshong opened on Mar 29, 2023
  1

• Taking care of each region when creating a gninatype

  gnina/libmolgrid#109 · Filter by author drorhunvural opened on Mar 17, 2023
  1

• data_root error while defining ExampleProvider

  gnina/libmolgrid#107 · Filter by author drorhunvural opened on Feb 27, 2023
  3

• libmolgrid issues about stratifying receptors

  gnina/libmolgrid#101 · Filter by author YanjingLiLi opened on Jan 21, 2023
  1

• libmolgrid issue

  gnina/libmolgrid#100 · Filter by author amarye opened on Dec 16, 2022
  4

• missing cuda know drivers to

  gnina/libmolgrid#95 · Filter by author EricDeveaud opened on Sep 26, 2022

• Error in pytest

  gnina/libmolgrid#87 · Filter by author lh12565 opened on Apr 11, 2022
  5

• cannot install from source (make error)

  gnina/libmolgrid#84 · Filter by author sll513 opened on Feb 4, 2022
  6

  

• CUDA error

  gnina/libmolgrid#83 · Filter by author JIBSN opened on Jan 27, 2022
  2

  

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

  gnina/libmolgrid#82 · Filter by author CoryKornowicz opened on Jan 21, 2022
  1

• make error

  gnina/libmolgrid#81 · Filter by author hanshangjin opened on Dec 28, 2021
  3

• can I get point clouds?

  gnina/libmolgrid#80 · Filter by author likun1212 opened on Dec 17, 2021
  1

• process froze when calling next_batch

  gnina/libmolgrid#79 · Filter by author yuanqidu opened on Dec 14, 2021
  7

• cmake error

  gnina/libmolgrid#74 · Filter by author HBioquant opened on Oct 23, 2021
  1

• RDKit failures if molgrid is imported first

  gnina/libmolgrid#65 · Filter by author RMeli opened on Jul 1, 2021
  5

• Segmentation fault with CoordinateSet in Python

  gnina/libmolgrid#62 · Filter by author RMeli opened on Jun 22, 2021
  7

• Grids are not centered when dimension is not divisible by resolution

  bug
  gnina/libmolgrid#57 · Filter by author mattragoza opened on May 27, 2021

• Implement support for pickling objects

  gnina/libmolgrid#23 · Filter by author dkoes opened on Jan 16, 2020