Pinned Repositories
exprorer
EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation
ABFE_workflow
This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.
acegen-open
Language models for drug discovery using torchrl
aider
aider is AI pair programming in your terminal
awesome-nocode-lowcode
A curated list of awesome nocode and lowcode ressources for building software without code.
biopandas
Working with molecular structures in pandas DataFrames
cosolvkit
CosolvKit is a versatile tool for cosolvent MD preparation and analysis
DeepDockingGUI
DrugEx
De Novo Drug Design with RNNs and Transformers
exprorer_msmd
MSMD (mixed-solvent molecular dynamics) engine and analysis tools
freitasR's Repositories
freitasR doesn’t have any repository yet.