Active Site Prediction
Identifies potential binding pockets on a protein's surface using geometric and energy-based algorithms.
Launch ToolAssign Atomic Charge
Calculates and assigns partial atomic charges to molecules, crucial for accurate simulations.
Launch ToolStack-Tox
Advanced ensemble-based toxicity prediction for small molecules and druglikeness predictions.
Access ToolBAPPL+
Binding Affinity Prediction of Protein-Ligand complexes. A tool for accurate binding energy estimation.
Launch ToolBIMP
A database of Bio-active molecules from Indian medicinal plants for virtual screening.
Launch ToolDrugLikeness Filter
Filters compound libraries based on physicochemical properties to identify drug-like molecules.
Launch ToolMolecular Volume Calculator
Calculates the van der Waals volume of molecules, an important descriptor in QSAR studies.
Launch ToolParDOCK+
Advanced molecular docking tool with support for metallo-proteins and ML-based scoring.
Launch ToolRASPD+
Rapid structure-based virtual screening against curated and custom compound libraries.
Launch ToolSEARCH-ML
A machine-learning based tool for ultra-fast forward and reverse virtual screening.
Launch Tool