microsoft / bioemu-benchmarksLinks
Benchmarking code accompanying the release of `bioemu`
☆32Updated this week
Alternatives and similar repositories for bioemu-benchmarks
Users that are interested in bioemu-benchmarks are comparing it to the libraries listed below
Sorting:
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆49Updated last week
- A benchmark for 3D biomolecular structure prediction models☆59Updated 2 months ago
- PoseX: A Molecular Docking Benchmark☆44Updated last week
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆43Updated 3 weeks ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆43Updated 7 months ago
- ☆48Updated 6 months ago
- Convert coarse-grained protein structure to all-atom model☆40Updated last month
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆72Updated this week
- ☆32Updated last year
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆51Updated last month
- ☆68Updated last year
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆65Updated 3 months ago
- code for SeqDance/ESMDance, biophysics-informed protein language models☆38Updated 3 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 4 months ago
- ☆32Updated 2 years ago
- Extension of ThermoMPNN for double mutant predictions☆36Updated 2 weeks ago
- Structure prediction and design of proteins with noncanonical amino acids☆78Updated last week
- mdml: Deep Learning for Molecular Simulations☆43Updated last month
- ☆40Updated last year
- ☆31Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆45Updated 6 months ago
- Modelling protein conformational landscape with Alphafold☆51Updated 2 weeks ago
- A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.☆28Updated 2 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆53Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 9 months ago
- ☆36Updated last month
- Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning☆30Updated last year
- Code for humanization of antibody and nanobody☆44Updated 7 months ago
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆26Updated 3 months ago
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆47Updated last month