Commits · 1315866d1701088fb0c5d9a2938a165b81534bc7 · open / DynaMate · GitLab

23 Jan, 2026 2 commits
- [cleanup] small cleanup · 1315866d
  cassandra committed Jan 23, 2026
  
  1315866d Browse Files
- [fix] bug if PDB cant be fetched · b5cf2510
  cassandra committed Jan 23, 2026
  
  b5cf2510 Browse Files
22 Jan, 2026 1 commit
- [fix] correct files for both UNL and UNK ligands · 1837c4d9
  cassandra committed Jan 22, 2026
  
  1837c4d9 Browse Files
21 Jan, 2026 1 commit
- [fix] bug related to multiligand systems · 63d7e209
  cassandra committed Jan 21, 2026
  
  63d7e209 Browse Files
15 Jan, 2026 1 commit
- [fix] replace ligand name in files · 52cf521b
  cassandra committed Jan 15, 2026
  
  52cf521b Browse Files
13 Jan, 2026 2 commits
- add constants · a1248f90
  cassandra committed Jan 13, 2026
  
  a1248f90 Browse Files
- [feat] add ability to accept systems with multiple ligands · f6439a19
  cassandra committed Jan 13, 2026
  
  f6439a19 Browse Files
20 Dec, 2025 1 commit
- [feat] improved parameter selection · 8e3a3715
  cassandra committed Dec 20, 2025
  
  8e3a3715 Browse Files
19 Dec, 2025 2 commits
- [update] added the temp and duration flags · 86bbaa3a
  cassandra committed Dec 19, 2025
  
  86bbaa3a Browse Files
- [update] add instructions for MMPBSA method · 52ccdc6f
  cassandra committed Dec 19, 2025
  
  52ccdc6f Browse Files
15 Dec, 2025 1 commit
- [update] add pre-print · 431410bb
  cassandra committed Dec 15, 2025
  
  431410bb Browse Files
06 Dec, 2025 2 commits
- Merge MIT license · a83a2e68
  cassandra committed Dec 06, 2025
  
  a83a2e68 Browse Files
- [update] add preprint · e8a050e7
  cassandra committed Dec 06, 2025
  
  e8a050e7 Browse Files
05 Dec, 2025 3 commits
- Add MIT License to the project · 17014121
  Cassandra Masschelein committed Dec 05, 2025
  
  17014121 Browse Files
- [update] logo change · 1c4e419f
  cassandra committed Dec 05, 2025
  
  1c4e419f Browse Files
- [release] DynaMate! · 523fdad9
  cassandra committed Dec 05, 2025
  
  523fdad9 Browse Files