mindrank-ai / PharmaBench
☆28Updated 9 months ago
Alternatives and similar repositories for PharmaBench:
Users that are interested in PharmaBench are comparing it to the libraries listed below
- ☆15Updated 2 years ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆16Updated 10 months ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆16Updated last month
- ☆18Updated last year
- ☆23Updated 6 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆31Updated 3 months ago
- ☆19Updated last year
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆22Updated last year
- ☆26Updated last year
- ☆16Updated last year
- ☆55Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆38Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆11Updated last year
- Kinase–drug binding prediction with calibrated uncertainty quantification☆24Updated last year
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆27Updated 7 months ago
- Graph variational encoders for drug engineering and potentiation☆28Updated last year
- ☆15Updated 3 years ago
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆33Updated 3 weeks ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆24Updated last month
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆23Updated last year
- ☆28Updated 2 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆42Updated last year
- ☆56Updated 10 months ago
- ☆21Updated 5 months ago
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Updated last year
- ☆13Updated 2 years ago
- MGA☆42Updated 4 years ago
- ☆48Updated last year
- ☆10Updated last year
- ☆32Updated last year