samplchallenges/SAMPL7
Challenge details, inputs, and results for the SAMPL7 series of challenges
PythonMIT
Issues
- 3
- 1
- 1
What is the unit of permeability?
#115 opened by unsterbliche - 2
Uploading poses Stage3
#94 opened by alejandrovr - 1
duplicated F95 cocrystal
#92 opened by alejandrovr - 2
PHIP2 stage 2: Unspecified stereocenters?
#77 opened by davidlmobley - 6
Binder/Non binder per site?
#60 opened by alejandrovr - 2
- 3
- 1
Migrate to samplchallenges org?
#46 opened by jchodera - 1
- 5
Once all source files for guests are up, construct standard mol2/sdf files
#12 opened by davidlmobley - 1
mol2 file for TrimerTrip host is incorrect
#22 opened by davidlmobley - 1
Improve READMEs
#8 opened by davidlmobley - 1
- 1
Add temperature to methods
#5 opened by kekellett