Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
☆73Mar 27, 2025Updated 11 months ago
Alternatives and similar repositories for PCMol
Users that are interested in PCMol are comparing it to the libraries listed below
Sorting:
- ☆55May 9, 2025Updated 9 months ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated 10 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆47Jan 28, 2026Updated last month
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆34Feb 18, 2026Updated last week
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆224Jan 20, 2026Updated last month
- MolTaut, a tool for the rapid generation of favorable states of drug-like molecules in water☆19Feb 1, 2023Updated 3 years ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆32May 22, 2025Updated 9 months ago
- Fully automated docking pipeline (can be run in distributed environments)☆55Feb 21, 2026Updated last week
- An Interface-Predicting Language Model for Designing Peptide-Guided Protein Degraders☆16Sep 10, 2024Updated last year
- Protein-ligand structure prediction☆238Jul 31, 2025Updated 7 months ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)