ejp-lab / EJPLab_Computational_Projects
Repository of all EJP lab computational projects
☆12Updated 2 months ago
Alternatives and similar repositories for EJPLab_Computational_Projects
Users that are interested in EJPLab_Computational_Projects are comparing it to the libraries listed below
Sorting:
- ☆13Updated last year
- ProteinDesign with RFdiffusion and ProteinMPNN/LigandMPNN☆12Updated 2 months ago
- Using Rotamer Interaction Fields from RIFGen/Dock in python☆16Updated 4 years ago
- Protein Sequence Evolutionary Information Language Model☆12Updated last year
- Scoring methods for predicting the DDG upon protein mutation☆14Updated 2 years ago
- ☆13Updated last month
- ☆11Updated 5 months ago
- ☆26Updated last week
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆12Updated 2 years ago
- DeepSP is an antibody-specific surrogate CNN model that can generate 30 spatial properties of an antibody solely based on their sequences…☆11Updated 4 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 7 months ago
- ☆19Updated 2 years ago
- De novo design of small molecule binding sites into proteins☆12Updated 4 years ago
- ☆20Updated 7 months ago
- MEGADOCK on Google Colaboratory☆16Updated last year
- ☆13Updated 3 years ago
- Some scripts that I keep using over and over.☆18Updated 4 months ago
- Physical energy function for protein sequence design☆30Updated 2 years ago
- Guiding diffusion models for antibody sequence and structure co-design with developability properties.☆33Updated 6 months ago
- ☆9Updated last year
- Tutorial files☆11Updated 9 months ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆15Updated last year
- This script can clean up the disordered region in the AlphaFold DB structures to adapt it to the molecular docking, extract the sequence …☆14Updated 2 years ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 2 months ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆13Updated 4 months ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆27Updated last year
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Updated 3 years ago
- Code for ApoDock☆20Updated last month
- ☆8Updated last year
- Antibody Langauge Ensemble Fusion - fuses antibody structural ensemble and language representation for property prediction☆11Updated last year