Issues
- 1
- 2
Scons Error 1 - Illegal Variable name
#89 opened by RhayWenn - 0
Add new molecule sigma file for database
#74 opened by XiaochunXU - 2
sigma profiles difference
#24 opened by tauha18 - 1
- 0
error 127 and error 1
#57 opened by juanchoccb - 0
Sigma Profile of Melanoidins Calculation
#56 opened by luisatobar - 1
Cyclopentyl methyl ether
#52 opened by henriquegasparetto - 9
- 0
Calculation COSMO activity coefficient for riluzole drug and carbon dioxid
#31 opened by mohammadamin73 - 6
N-Acetylglucosamin (C8H15NO6) = NAG
#10 opened by ihamidindar - 3
NA+1 not supported
#14 opened by gsimon-ens - 1
Carotenoids
#12 opened by allanmorcelli - 0
Chlorophyll a and Chlorophyll b
#13 opened by allanmorcelli - 4
Mint doi for release?
#11 opened by ianhbell - 2
Empty Cavities
#3 opened by DetlevCM - 1
- 1
Biodiesel related compounds
#6 opened by rpseng - 2
Cinnamic acid derivatives (CADs)
#8 opened by rpseng - 1
1,1,2-TRICHLOROETHANE conformers
#5 opened by rpseng - 3
Identification list for species:
#7 opened by DetlevCM - 1
D-Glucose molecule
#4 opened by rpseng - 1
Please add g-valerolactone
#2 opened - 1
Please add Quercetin
#1 opened by rpseng