IBG4-CBCLab / TopECLinks
Protein function prediction using protein structures and deep graph neural networks.
☆15Updated 9 months ago
Alternatives and similar repositories for TopEC
Users that are interested in TopEC are comparing it to the libraries listed below
Sorting:
- PoseX: A Molecular Docking Benchmark☆52Updated 4 months ago
- code for SeqDance/ESMDance, biophysics-informed protein language models☆41Updated 7 months ago
- Graphormer Based Protein Sequence Design☆25Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated 3 weeks ago
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆42Updated this week
- workflow used to prepare PPB-Affinity database☆28Updated last year
- ☆27Updated last year
- Benchmarking code accompanying the release of `bioemu`☆47Updated this week
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆59Updated 3 weeks ago
- Binding pocket optimization based on force fields and docking scoring functions☆35Updated 7 months ago
- Precise Generation of Conformational Ensembles for Intrinsically Disordered Proteins with IDPFold☆24Updated last year
- ☆26Updated last year
- Modelling protein conformational landscape with Alphafold☆53Updated 2 months ago
- DyNoPy☆11Updated last year
- P450Diffusion: A tool for designing P450 sequences based on diffusion model☆24Updated last year
- ☆15Updated last year
- ☆52Updated 7 months ago
- ☆50Updated 10 months ago
- ☆31Updated 2 months ago
- A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes☆43Updated last week
- Guiding diffusion models for antibody sequence and structure co-design with developability properties.☆33Updated last year
- bakerlab pymol scripts☆25Updated 5 years ago
- Updated Protpardelle models with more robust motif scaffolding and multichain support☆45Updated last week
- ☆27Updated last year
- Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks☆11Updated 3 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 3 weeks ago
- ProteinDesign with RFdiffusion and ProteinMPNN/LigandMPNN☆21Updated 8 months ago
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆30Updated 11 months ago
- ☆23Updated last month
- Deep generative modeling of protein structural ensembles☆29Updated last month