jiaxianyan / BioMinerView external linksLinks
A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature
☆70Jan 9, 2026Updated last month
Alternatives and similar repositories for BioMiner
Users that are interested in BioMiner are comparing it to the libraries listed below
Sorting:
- [CVPR 25] MarkushGrapher: Joint Visual and Textual Recognition of Markush Structures☆34Oct 27, 2025Updated 3 months ago
- ☆21Jan 6, 2026Updated last month
- ☆26Jul 3, 2024Updated last year
- PairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Comp…☆16Oct 23, 2025Updated 3 months ago
- Official implementation of Panacea: A foundation model for clinical trial design, recruitment, search, and summarization.☆18Dec 24, 2024Updated last year
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆14Jul 8, 2025Updated 7 months ago
- ☆42Nov 29, 2025Updated 2 months ago
- A command-line interface and Python library for generating AlphaFold3 input files.☆38Jan 2, 2026Updated last month
- Fully automated high-throughput MD pipeline☆88Updated this week
- Cloud-based Drug Binding Structure Prediction☆46Feb 9, 2026Updated last week
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated 9 months ago
- Plausibility checks for generated molecule poses.☆354Updated this week
- Serializing molecule 3D structures☆14Nov 27, 2024Updated last year
- ☆17Sep 30, 2025Updated 4 months ago
- ☆15Dec 4, 2023Updated 2 years ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆87Oct 6, 2025Updated 4 months ago
- Official code repo for the paper "ChemToolAgent: The Impact of Tools on Language Agents for Chemistry Problem Solving" (previously "Tooli…☆18Jun 7, 2025Updated 8 months ago
- ☆16Dec 5, 2025Updated 2 months ago
- Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42…☆250Jun 27, 2025Updated 7 months ago
- A tool for 2D protein visualization aimed at improving the comparability of protein structures through standardized 2D visualizations.☆21Jul 31, 2025Updated 6 months ago
- ☆25Feb 4, 2025Updated last year
- LLM for Drug Editing, ICLR 2024☆156May 28, 2024Updated last year
- ☆53Jun 25, 2025Updated 7 months ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 2 years ago
- Structure-based drug design based on Retrieval Augmented Generation☆24Nov 7, 2025Updated 3 months ago
- OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method☆152Jan 22, 2026Updated 3 weeks ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆167Feb 6, 2026Updated last week
- Robust Molecular Structure Recognition with Image-to-Graph Generation☆265Jan 9, 2025Updated last year
- This is the offical code of the paper "Towards Large-scale Chemical Reaction Image Parsing via a Multimodal Large Language Model"☆36Dec 12, 2025Updated 2 months ago
- Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Co…☆185Feb 7, 2022Updated 4 years ago
- Toolkit for alphafold3 input and output files☆95Jan 10, 2026Updated last month
- Structure-Informed Protein Language Model☆38Feb 15, 2024Updated 2 years ago
- ChatMol☆244Nov 18, 2025Updated 2 months ago
- ML-guided visual inspection for molecular docking☆21Jun 3, 2025Updated 8 months ago
- Reaction-Conditioned Virtual Screening of Enzymes☆42Jun 11, 2025Updated 8 months ago
- ☆16Dec 2, 2025Updated 2 months ago
- Gromacs molecular dynamics simulation analysis scripts☆10Apr 5, 2022Updated 3 years ago
- EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation☆11Jul 28, 2022Updated 3 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Feb 8, 2024Updated 2 years ago