Forli Lab

Code repository of the ForliLab

United States of America

Pinned Repositories

bottchscore
Calculate Böttcher score on small molecules (doi.org/10.1021/acs.jcim.5b00723)
Language:Python13 5 56
CADD
Language:Python4 4 03
cosolvkit
CosolvKit is a versatile tool for cosolvent MD preparation and analysis
Language:Python17 5 304
CryoXKit
Tool to read crystallographic and cryo-EM files and interpolate density values onto a cartesian grid map
Language:C++20
git-tutorial
2 3 00
Meeko
Interface for AutoDock, molecule parameterization
Language:Python215 10 18450
Ringtail
Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
Language:Python41 8 397
scrubber
Enumerate conformational, protomeric, and pH-related microstates for docking with AutoDock
Language:Python13 8 45
tutorials
Language:Python2 3 21
waterkit
Tool to predict water molecules placement and energy in ligand binding sites
Language:C++28 6 189

Forli Lab's Repositories

forlilab/Meeko
Interface for AutoDock, molecule parameterization
Language:Python215 10 18450
forlilab/Ringtail
Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
Language:Python41 8 397
forlilab/waterkit
Tool to predict water molecules placement and energy in ligand binding sites
Language:C++28 6 189
forlilab/cosolvkit
CosolvKit is a versatile tool for cosolvent MD preparation and analysis
Language:Python17 5 304
forlilab/bottchscore
Calculate Böttcher score on small molecules (doi.org/10.1021/acs.jcim.5b00723)
Language:Python13 5 56
forlilab/scrubber
Enumerate conformational, protomeric, and pH-related microstates for docking with AutoDock
Language:Python13 8 45
forlilab/CADD
Language:Python4 4 03
forlilab/CryoXKit
Tool to read crystallographic and cryo-EM files and interpolate density values onto a cartesian grid map
Language:C++20
forlilab/git-tutorial
2 3 00
forlilab/tutorials
Language:Python2 3 21