prescient-design / funcmolLinks
Score-based 3D molecule generation with neural fields
☆22Updated 6 months ago
Alternatives and similar repositories for funcmol
Users that are interested in funcmol are comparing it to the libraries listed below
Sorting:
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆47Updated 3 weeks ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆22Updated this week
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆41Updated 3 weeks ago
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆57Updated 3 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆30Updated this week
- code for SeqDance/ESMDance, biophysics-informed protein language models☆37Updated 2 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 2 weeks ago
- ☆32Updated last year
- Fast and accurate molecular docking with an AI pose scoring function☆39Updated last year
- Structure prediction and design of proteins with noncanonical amino acids☆60Updated last week
- ☆25Updated 2 weeks ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 3 months ago
- ☆33Updated last year
- ☆32Updated last year
- ☆45Updated 3 weeks ago
- Modelling protein conformational landscape with Alphafold☆51Updated last week
- A benchmark for 3D biomolecular structure prediction models☆60Updated 3 weeks ago
- Fully automated high-throughput MD pipeline☆60Updated 3 weeks ago
- Benchmarking code accompanying the release of `bioemu`☆30Updated last week
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- PoseX: A Molecular Docking Benchmark☆38Updated this week
- Scores for Hydrophobicity and Charges based on SASAs☆31Updated 2 months ago
- ☆34Updated 11 months ago
- Clusters protein chains based on CA distance difference☆14Updated 4 months ago
- ☆48Updated 6 months ago
- ☆18Updated last month
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆26Updated last year
- ☆23Updated last year
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆27Updated 6 months ago
- Extension of ThermoMPNN for double mutant predictions☆34Updated 2 months ago