BioPython.PDB

Use when working with OmegaFold to predict 3D protein structures from amino acid sequences without multiple sequence alignments (MSA-free). Covers single-sequence structure prediction, batch FASTA pro

2 shared topics • 3 shared operations

CCP4 — Collaborative Computational Project Number 4 software suite for macromolecular X-ray crystallography. Provides programs for data processing (AIMLESS, POINTLESS), molecular replacement (Phaser),

1 shared topic • 3 shared operations

Use when working with MolBART — a BART-based sequence-to-sequence transformer for computational chemistry and drug discovery. MolBART is pre-trained on SMILES molecular representations and supports fo

1 shared topic • 3 shared operations

Protégé is an open-source ontology editor and knowledge graph framework for creating, editing, and reasoning over OWL and RDF ontologies. Use for biomedical ontology development (Gene Ontology, SNOMED

1 shared topic • 3 shared operations

REINVENT4 — AI-driven de novo molecular design platform for drug discovery using reinforcement learning (RL) and generative models. Generate novel SMILES, decorate scaffolds (LibInvent), design linker

1 shared topic • 3 shared operations