parKVFinder: thread-level parallel KVFinder
☆15May 9, 2025Updated 10 months ago
Alternatives and similar repositories for parKVFinder
Users that are interested in parKVFinder are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- parKVFinder-win: thread-level parallel KVFinder for Windows☆10Sep 12, 2024Updated last year
- pyKVFinder: Python-C parallel KVFinder☆35Updated this week
- Source code for the BUDE Alanine Scan web application.☆12May 27, 2025Updated 10 months ago
- Workshops on Computational Biology organized by our lab☆10Mar 25, 2024Updated 2 years ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆29Dec 2, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A docker image containing changes applied to the ETKDG conformer generator workflow, with example scripts.☆11Jun 15, 2019Updated 6 years ago
- Python Toolbox For Rosetta Silent Files Processing☆10Aug 2, 2021Updated 4 years ago
- A lightweight pure python package for reading, writing and manipulating mmCIF files distributed by the wwPDB"☆38Oct 30, 2023Updated 2 years ago
- Protein-Protein Docking using Genetic Algorithm☆20Mar 9, 2026Updated 2 weeks ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆18Nov 14, 2023Updated 2 years ago
- Gene family evolution analysis of OneKP capstone paper☆13May 10, 2021Updated 4 years ago
- A collection of molecular modelling tools for UCSF Chimera☆18Mar 26, 2019Updated 7 years ago
- Implementation of NeurIPS24 paper "Generalized Protein Pocket Generation with Prior-Informed Flow Matching"☆19May 15, 2025Updated 10 months ago
- TAGMol: Target-Aware Gradient-guided Molecule Generation (ICML'24 ML4LMS Workshop)☆13Aug 29, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- These are the famous Uppsala Software Factory programs, rescued into GitHub.☆10Nov 3, 2022Updated 3 years ago
- ☆30Dec 11, 2025Updated 3 months ago
- ☆15Jan 27, 2025Updated last year
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆74Nov 23, 2024Updated last year
- RNA Multiple Sequence Alignment☆50Jul 20, 2023Updated 2 years ago
- Jupyter notebooks for CellProfiler and friends☆14Mar 23, 2018Updated 8 years ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆45Jul 23, 2023Updated 2 years ago
- Statistical Analysis of Docking Results and Scoring functions☆21Feb 22, 2026Updated last month
- 3D_Molecular_Generation☆107Nov 23, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆33Jan 12, 2021Updated 5 years ago
- 👌[ICLR 2025] TFG-Flow: Training-free Guidance in Multimodal Generative Flow☆19Mar 4, 2025Updated last year
- This software package simulates the reduction of graphene oxide and calculates the optical response of the generated sp2 domains☆11Dec 22, 2016Updated 9 years ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆69Dec 6, 2024Updated last year
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆24Mar 26, 2020Updated 6 years ago
- Using Gomacs from IPython notebook☆20Apr 8, 2014Updated 11 years ago
- Integrative protein sequence design with evolutionary multiobjective optimization.☆12Jul 16, 2024Updated last year
- Collection of ASE (Atomic Simulation Environment) Scripts for Bimetallic Nanoparticles☆11Oct 23, 2021Updated 4 years ago
- ParetoDrug☆10Sep 3, 2024Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆19Jun 27, 2024Updated last year
- ☆13Jul 7, 2024Updated last year
- This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…☆12Jul 24, 2023Updated 2 years ago
- Evaluating batch correction methods for image-based cell profiling☆15Aug 11, 2025Updated 7 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆33Aug 9, 2021Updated 4 years ago
- ☆40May 22, 2024Updated last year
- Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop☆15Jun 9, 2024Updated last year