CCP4

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

2 shared topics • 3 shared operations

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

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

2 shared topics • 3 shared operations

Chai-1 -- multi-modal foundation model for molecular structure prediction from Chai Discovery. Predicts 3D structures of proteins, nucleic acids (DNA/RNA), small molecules, glycans, ions, and their co

2 shared topics • 2 shared operations

Rosetta — comprehensive macromolecular modeling suite for protein structure prediction, protein design, docking, loop modeling, and enzyme engineering. Includes RosettaFold for deep-learning structure

2 shared topics • 2 shared operations