microsoft / bioemu-benchmarks
Benchmarking code accompanying the release of `bioemu`
☆23Updated this week
Alternatives and similar repositories for bioemu-benchmarks:
Users that are interested in bioemu-benchmarks are comparing it to the libraries listed below
- Guiding diffusion models for antibody sequence and structure co-design with developability properties.☆32Updated 5 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 6 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 2 months ago
- protein structure generation with sparse all-atom denoising models☆30Updated last week
- Implementation of Protein Invariant Point Packer (PIPPack)☆32Updated 11 months ago
- Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks☆11Updated 2 years ago
- IDPFold test version☆19Updated 7 months ago
- ☆31Updated last year
- This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.☆18Updated 4 months ago
- Modelling protein conformational landscape with Alphafold☆47Updated 2 weeks ago
- ☆37Updated 5 months ago
- Code for designing binders to flexible peptides with AlphaFold2 Hallucination☆22Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆46Updated last week
- Extension of ThermoMPNN for double mutant predictions☆32Updated last month
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆46Updated 4 months ago
- Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop☆11Updated 10 months ago
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆25Updated last month
- code for SeqDance/ESMDance, biophysics-informed protein language models☆34Updated last month
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆33Updated last week
- Convert coarse-grained protein structure to all-atom model☆37Updated 10 months ago
- ☆33Updated 10 months ago
- Generative diverse protein backbones by protein language model☆31Updated 4 months ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆35Updated last week
- ☆48Updated 4 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆41Updated 5 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆24Updated last month
- ☆34Updated 7 months ago
- ☆32Updated 2 years ago
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆30Updated 6 months ago
- ☆32Updated 5 months ago