Alternatives and similar repositories for Technical-Reports:

Users that are interested in Technical-Reports are comparing it to the libraries listed below

• primitivefinance / Topological-Data-Analysis
  This repository is for topologic and geometric data analysis.
  ☆13Updated 2 years ago
• DEShawResearch / DESMILES
  Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"
  ☆21Updated 3 years ago
• filipsPL / ABChemoinformatics
  ABC of chemoinformatics
  ☆18Updated 6 years ago
• filipsPL / annapurna
  AnnapuRNA: a scoring function for predicting RNA-small molecule interactions.
  ☆19Updated 11 months ago
• psa-lab / SimSite3D
  The SimSite3D Software tools are designed to quickly search a database of three dimensional structures, in Protein Data Bank format, with…
  ☆11Updated 6 years ago
• rish-16 / rna-backbone-design
  Source code for RNA-FrameFlow: SE(3) Flow Matching for 3D RNA Backbone Design
  ☆46Updated last month
• Kortemme-Lab / ddg
  A DDG benchmark capture containing the benchmark dataset and benchmarked protocol captures.
  ☆17Updated 9 years ago
• OpenEye-Contrib / Triphic
  Pharmacophore tool based on OpenEye toolkits
  ☆10Updated 9 years ago
• ritabratamaiti / Chem-Faiss
  This projects utilises vector similarity search from Faiss, in conjunction with chemical fingerprinting to build a scalabale similarity s…
  ☆19Updated 4 years ago
• adaptyvbio / egfr_competition_1
  This repo contains the results data for Round 1 of Adaptyv Bio’s EGFR Protein Design Competition.
  ☆33Updated 3 months ago
• BobbyLangan / DeNovoDesignofBioactiveProteinSwitches
  Code used in the manuscript for De Novo Design of Bioactive Protein Switches
  ☆16Updated 5 years ago
• skearnes / rdkit-utils
  Utilities for working with the RDKit
  ☆20Updated 8 years ago
• oddt / notebooks
  Open Drug Discovery Toolkit (ODDT) Notebooks 101
  ☆19Updated 6 years ago
• greglandrum / aisem23
  Repository for the SCS Spring School on Digital Chemistry
  ☆20Updated last year
• Future-House / BixBench
  Benchmark for LLM-based Agents in Computational Biology
  ☆27Updated this week
• lukasturcani / vabene
  Make valid molecular graphs!
  ☆22Updated last year
• drips-network / contracts-v1-periphery
  Smart contracts for Radicle Drips
  ☆10Updated 2 years ago
• volkamerlab / plipify
  ☆16Updated 2 years ago
• philipturner / openmm-metal
  OpenMM Metal Plugin
  ☆13Updated 7 months ago
• matteofigliuzzi / bmDCA
  ☆18Updated 7 years ago
• casperg92 / MaSIF_colab
  dMaSIF implementation for google colab
  ☆31Updated 2 years ago
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆20Updated last year
• ljmartin / dockviz
  docking visualization with py3dmol and streamlit
  ☆23Updated 4 years ago
• lucidrains / neural-plexer-pytorch
  Implementation of Nvidia's NeuralPlexer, for end-to-end differentiable design of functional small-molecules and ligand-binding proteins, …
  ☆50Updated last year
• samuelmurail / gromacs_py
  Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a…
  ☆43Updated 2 years ago
• aqlaboratory / hsm
  Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."
  ☆71Updated 11 months ago
• ur-whitelab / maxent
  MaxEnt code for fitting simulation outcomes/statistical models to observations
  ☆16Updated 2 years ago
• microsoft / protein-uq
  Benchmarking uncertainty quantification methods on proteins.
  ☆19Updated 2 months ago
• choderalab / modelforge
  Infrastructure to implement and train NNPs
  ☆13Updated this week
• jscant / PointVS
  SE(3)-equivariant point cloud networks for virtual screening
  ☆20Updated last year