IBG4-CBCLab / TopECLinks
Protein function prediction using protein structures and deep graph neural networks.
☆13Updated 5 months ago
Alternatives and similar repositories for TopEC
Users that are interested in TopEC are comparing it to the libraries listed below
Sorting:
- ☆40Updated 3 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 4 months ago
- ☆25Updated 9 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 9 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆26Updated 3 months ago
- ☆32Updated 2 years ago
- This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.☆18Updated 6 months ago
- ☆28Updated this week
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆34Updated 9 months ago
- Benchmarking code accompanying the release of `bioemu`☆37Updated last week
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆37Updated 4 months ago
- Cryptic pocket prediction using AlphaFold 2☆23Updated 2 years ago
- ☆35Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆53Updated last year
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 3 months ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆48Updated 2 months ago
- Utility for building inverse rotamer assemblies out of a Rosetta matcher/enzdes constraint file.☆21Updated 4 months ago
- ☆36Updated last month
- ☆25Updated last year
- Convert coarse-grained protein structure to all-atom model☆40Updated last month
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆51Updated last week
- few-shot compound activity regression☆13Updated 10 months ago
- ☆23Updated 9 months ago
- ☆36Updated 3 months ago
- Code for the paper "Learning to engineer protein flexibility".☆18Updated last week
- P450Diffusion: A tool for designing P450 sequences based on diffusion model☆24Updated last year
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆26Updated 3 months ago
- code for SeqDance/ESMDance, biophysics-informed protein language models☆38Updated 3 months ago
- IDPFold test version☆21Updated 10 months ago
- ☆17Updated 8 months ago