Graylab / DFMDock
DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.
☆28Updated this week
Related projects ⓘ
Alternatives and complementary repositories for DFMDock
- Structure prediction of alternative protein conformations☆71Updated 2 months ago
- Deep learning framework for protein sequence design from a backbone scaffold that can leverage the molecular context including non-protei…☆34Updated 4 months ago
- ☆38Updated 2 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆33Updated 2 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆20Updated this week
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆54Updated this week
- Structure-conditioned masked language modeling for protein sequence design☆60Updated 9 months ago
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆47Updated last month
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆27Updated last week
- A Light-Weight And Interpretable Molecular Docking Model☆15Updated last month
- Implementation of Protein Invariant Point Packer (PIPPack)☆30Updated 5 months ago
- Modelling protein conformational landscape with Alphafold☆34Updated last month
- Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop☆10Updated 5 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆25Updated 8 months ago
- ☆45Updated last month
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆24Updated last month
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆46Updated 3 weeks ago
- Guiding diffusion models for antibody sequence and structure co-design with developability properties.☆26Updated 2 weeks ago
- Converts AlphaFold distograms into distance matrices and saves them into a number of formats☆11Updated last year
- scripts to find PBD structures for cancer driver proteins☆29Updated 8 months ago
- ☆23Updated 3 weeks ago
- ☆35Updated 11 months ago
- Mutational Effect Transfer Learning (METL) framework for pretraining and finetuning biophysics-informed protein language models☆23Updated 3 weeks ago
- Generative diverse protein backbones by protein language model☆24Updated last week
- Official repository for Target-Specific De Novo Peptide Binder Design with DiffPepBuilder☆62Updated this week
- Code for humanization of antibody and nanobody☆23Updated 3 weeks ago
- Differentiable Pairing using Alignment-based Language Models☆17Updated 10 months ago
- Adapting protein language models for structure-conditioned design☆35Updated 3 months ago
- Generating and scoring novel enzyme sequences with a variety of models and metrics☆62Updated 4 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆25Updated last week